SCHEMBL3404045

SCHEMBL3404045

CCCCC=Cc1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLK2 Q86UE8 1/20 0.32
ALOX5 P09917 1/20 0.31
FAAH O00519 3/20 0.31
PDE5A O76074 1/20 0.31
CES1 P23141 1/20 0.31
HSF1 Q00613 1/20 0.30
TXN P10599 1/20 0.30
TXNRD1 Q16881 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
SCHEMBL83282 0.93 FAAH (0.38) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL27191623 0.93 FAAH (0.38) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL83280 0.93 FAAH (0.38) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
Bromide SCHEMBL28549910 0.92 FAAH (0.37) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL18867140 0.89 NPC1 (0.39) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3405760 0.89 NPC1 (0.39) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL9110309 0.82 NPC1 (0.37) NPC1RAB9A
SCHEMBL9110307 0.82 NPC1 (0.37) NPC1RAB9A
SCHEMBL181391 0.81 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3403822 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260081-A1 SILICA ENCAPSULATED ORGANIC NANOPIGMENTS AND METHOD OF MAKING SAME Xerox Corporation (US) 2010-12-15 EP disclosed
EP-2252664-A1 ENCAPSULATED NANOSCALE PARTICLES OF ORGANIC PIGMENTS Xerox Corporation (US) 2010-11-24 EP disclosed
WO-2009148687-A1 SILICA ENCAPSULATED ORGANIC NANOPIGMENTS AND METHOD OF MAKING SAME XEROX CORPORATION (US) 2009-12-10 WO disclosed
WO-2009126388-A1 ENCAPSULATED NANOSCALE PARTICLES OF ORGANIC PIGMENTS XEROX CORPORATION (US) 2009-10-15 WO disclosed
EP-0828762-A1 WATER-SOLUBLE COPOLYMERS CONTAINING POLYMERIZED-IN CROSS-LINKING AGENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-03-18 EP disclosed
EP-0828763-A1 POLYMER AND SURFACTANT MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-03-18 EP disclosed
EP-0765379-A1 COLOR MIGRATION INHIBITORS FOR WASHING AND CLEANING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed
WO-1996037525-A1 WATER-SOLUBLE COPOLYMERS CONTAINING POLYMERIZED-IN CROSS-LINKING AGENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
WO-1996037598-A1 DYE TRANSFER INHIBITORS FOR DETERGENTS CONTAINING BLEACHING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
WO-1996037524-A1 POLYMER AND SURFACTANT MIXTURES, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
EP-0731813-A1 POLYMERS OF ALKYL-1-VINYLIMIDAZOLES BASF AG (DE) 1996-09-18 EP disclosed
WO-1995035360-A1 COLOR MIGRATION INHIBITORS FOR WASHING AND CLEANING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 WO disclosed
WO-1995015345-A1 POLYMERS OF ALKYL-1-VINYLIMIDAZOLES BASF AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed