SCHEMBL1345960

SCHEMBL1345960

c1ccc(-n2ccnc2-c2ccn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.47
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
HPGDS O60760 2/20 0.42
MAPK1 P28482 1/20 0.42
TNK2 Q07912 2/20 0.41
IDO1 P14902 1/20 0.40
LTA4H P09960 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL1345719 0.78 CYP3A4 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL27360696 0.77 CYP3A4 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
Benzene SCHEMBL27839441 0.74 MAPK9 (0.54) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL528245 0.74 MAPK9 (0.54) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL1346326 0.73 HSD17B10 (0.54) SCN4ANPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL29040464 0.73 MAPK9 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL27683877 0.73 MAPK9 (0.53) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL1346040 0.73 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL28405187 0.72 PARP1 (0.52) NPC1RAB9AIDO1ALDH1A1KDM4E
SCHEMBL1343717 0.72 COMT (0.52) SCN4ANPC1RAB9ASMN1; SMN2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062767-B2 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2011-11-22 US disclosed
US-8062767-B2 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2011-11-22 US disclosed
US-8062767-B2 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2011-11-22 US disclosed
US-20080217606-A1 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2008-09-11 US disclosed
US-20080217606-A1 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2008-09-11 US disclosed
US-20080217606-A1 Organic light emitting diode containing a Ir complex having a novel ligand as a phosphorescent emitter Cheng, Chien-Hong (TW) 2008-09-11 US disclosed