SCHEMBL9232010

SCHEMBL9232010

O=C=Nc1ccc2c(c1)Cc1ccc(N=C=O)cc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 5/20 0.42
TRPA1 O75762 1/20 0.42
TSHR P16473 2/20 0.38
CYP1A2 P05177 6/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 2/20 0.37
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SRD5A2 P31213 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
HTR2C P28335 2/20 0.33

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
SCHEMBL11231604 0.94 MAPK1 (0.48) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL543138 0.94 MAPK1 (0.48) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL29648833 0.89 CYP1A2 (0.49) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL672776 0.89 CYP1A2 (0.49) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL28651125 0.84 METAP1 (0.44) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL9354209 0.79 TLR9 (0.57) MAPK1TDP1CYP3A4CYP1A2ALDH1A1
SCHEMBL9778379 0.78 MAPT (0.38) MAPK1TDP1CYP3A4TRPA1CYP1A2
SCHEMBL28448245 0.78 TDP1 (0.56) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL28562992 0.78 TDP1 (0.56) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL1169190 0.76 CYP3A4 (0.41) MAPK1TDP1CYP3A4TRPA1TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8847075-B2 Insulated wire FURUKAWA ELECTRIC CO., LTD. (JP) 2014-09-30 US disclosed
US-20130037304-A1 INSULATED WIRE ESSEX FURUKAWA MAGNET WIRE JAPAN CO., LTD. (JP) 2013-02-14 US disclosed
US-5393612-A Conductor and insulating coating having tensile strength of at least 13 kg/mm2 SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1995-02-28 US disclosed
EP-0465302-B1 Precursors of isocyanurate polymers having hydroxyl, urethane, isocyanate or acrylate groups, and process for their preparation ATOCHEM ELF SA (FR) 1994-12-28 EP disclosed
US-5256748-A Michael condensation of isocyanuric acid and hydroxyacrylated compound AUTOCHEM (FR) 1993-10-26 US disclosed
EP-0465302-A1 Precursors of isocyanurate polymers having hydroxyl, urethane, isocyanate or acrylate groups, and process for their preparation ELF ATOCHEM S.A. (FR) 1992-01-08 EP disclosed
US-4243788-A UNSATURATED ISOCYANURATE, UNSATURATED SOLVENT ICI AMERICAS INC. (US) 1981-01-06 US disclosed
US-4159376-A IMPACT STRENGTH, CORROSION RESISTANCE, CARBAMYLATION ICI AMERICAS INC. (US) 1979-06-26 US disclosed