SCHEMBL9970465

SCHEMBL9970465

C(/C=C/c1ccc2cccnc2c1)=C\c1ccc(/C=C/C=C/c2ccc3cccnc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
CASP3 P42574 1/20 0.54
ATM Q13315 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ALDH1A1 P00352 4/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
NR4A2 P43354 1/20 0.52
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL24817285 0.89 ALDH1A1 (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6651334 0.88 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6651332 0.88 ALDH1A1 (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10031853 0.84 NPC1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9000576 0.84 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9000568 0.84 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6656717 0.84 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7106503 0.84 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10037368 0.83 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10031898 0.83 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203139-B2 Organic thin film transistor and organic thin film light-emitting transistor using an organic semiconductor layer having an aromatic hydrocarbon group or an aromatic heterocyclic group in the center thereof IDEMITSU KOSAN CO., LTD (JP) 2012-06-19 US disclosed
US-8203139-B2 Organic thin film transistor and organic thin film light-emitting transistor using an organic semiconductor layer having an aromatic hydrocarbon group or an aromatic heterocyclic group in the center thereof IDEMITSU KOSAN CO., LTD (JP) 2012-06-19 US disclosed
US-20100051919-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
US-20100051919-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed