SCHEMBL432632

SCHEMBL432632

Cc1ccc(N=C=O)cc1-c1ccc(N=C=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
TRPA1 O75762 1/20 0.59
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRIK1 P39086 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
MAPK14 Q16539 2/20 0.31
RARA P10276 1/20 0.30
RXRA P19793 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL543864 0.85 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL8596339 0.83 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29808709 0.83 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL7588494 0.81 CA12 (0.47) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL58809 0.78 CYP3A4 (0.70) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL10435657 0.77 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL4905176 0.77 CYP3A4 (0.96) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28641076 0.76 TDP1 (0.43) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL9229680 0.76 MAPK1 (0.43) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL14688874 0.76 MAPK1 (0.43) CYP3A4TRPA1TDP1MAPK1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040236035-A1 Grafting a polyurethane with a diisocyanate trimer or blocked isocyanate (at which point it can be shaped) and self-crosslinking the product in the absence of catalyst; good high-temperature strength NOVEON, INC. 2004-11-25 US claimed
EP-1438345-A1 PURE OR MIXED GRAFTED THERMOSETTING THERMOPLASTIC POLYURETHANE, AND THERMOSET POLYURETHANE OBTAINED AFTER CROSSLINKING Noveon IP Holdings Corp. (US) 2004-07-21 EP claimed
EP-1183296-B1 METHOD FOR PRODUCING THERMOSETTING POLYURETHANE FROM THERMOPLASTIC POLYURETHANE AND THERMOSET POLYURETHANE OBTAINED USING SAID METHOD NOVEON IP HOLDINGS CORP (US) 2004-04-28 EP claimed
WO-2003035711-A1 PURE OR MIXED GRAFTED THERMOSETTING THERMOPLASTIC POLYURETHANE, AND THERMOSET POLYURETHANE OBTAINED AFTER CROSSLINKING NOVEON IP HOLDINGS CORP. (US) 2003-05-01 WO claimed
EP-1183296-A1 METHOD FOR PRODUCING THERMOSETTING POLYURETHANE FROM THERMOPLASTIC POLYURETHANE AND THERMOSET POLYURETHANE OBTAINED USING SAID METHOD Gemoplast Société Anonyme (FR) 2002-03-06 EP claimed
WO-2000075213-A1 METHOD FOR PRODUCING THERMOSETTING POLYURETHANE FROM THERMOPLASTIC POLYURETHANE AND THERMOSET POLYURETHANE OBTAINED USING SAID METHOD GEMOPLAST (SOCIETE ANONYME) (FR) 2000-12-14 WO claimed
EP-2595710-A1 GOLF BALL AND METHOD OF MANUFACTURING A GOLF BALL Nike International Ltd. (US) 2013-05-29 EP disclosed
WO-2012012481-A1 GOLF BALL AND METHOD OF MANUFACTURING A GOLF BALL NIKE INTERNATIONAL LTD. (US) 2012-01-26 WO disclosed
US-6861491-B2 Method for producing a thermosetting polyurethane from a thermoplastic polyurethane and thermoset polyurethane obtainable using said method NOVEON IP HOLDINGS CORP. (US) 2005-03-01 US disclosed
US-20040236035-A1 Grafting a polyurethane with a diisocyanate trimer or blocked isocyanate (at which point it can be shaped) and self-crosslinking the product in the absence of catalyst; good high-temperature strength NOVEON, INC. 2004-11-25 US disclosed
EP-1438345-A1 PURE OR MIXED GRAFTED THERMOSETTING THERMOPLASTIC POLYURETHANE, AND THERMOSET POLYURETHANE OBTAINED AFTER CROSSLINKING Noveon IP Holdings Corp. (US) 2004-07-21 EP disclosed
EP-1183296-B1 METHOD FOR PRODUCING THERMOSETTING POLYURETHANE FROM THERMOPLASTIC POLYURETHANE AND THERMOSET POLYURETHANE OBTAINED USING SAID METHOD NOVEON IP HOLDINGS CORP (US) 2004-04-28 EP disclosed
WO-2003035711-A1 PURE OR MIXED GRAFTED THERMOSETTING THERMOPLASTIC POLYURETHANE, AND THERMOSET POLYURETHANE OBTAINED AFTER CROSSLINKING NOVEON IP HOLDINGS CORP. (US) 2003-05-01 WO disclosed
US-20020169255-A1 Method for producing a thermosetting polyurethane from a thermoplastic polyurethane and thermoset polyurethane obtainable using said method GEMOPLAST(SOCIETE ANONYME) (FR) 2002-11-14 US disclosed
EP-1183296-A1 METHOD FOR PRODUCING THERMOSETTING POLYURETHANE FROM THERMOPLASTIC POLYURETHANE AND THERMOSET POLYURETHANE OBTAINED USING SAID METHOD Gemoplast Société Anonyme (FR) 2002-03-06 EP disclosed
WO-2000075213-A1 METHOD FOR PRODUCING THERMOSETTING POLYURETHANE FROM THERMOPLASTIC POLYURETHANE AND THERMOSET POLYURETHANE OBTAINED USING SAID METHOD GEMOPLAST (SOCIETE ANONYME) (FR) 2000-12-14 WO disclosed