SCHEMBL1343717

SCHEMBL1343717

Cn1ccnc1-c1ccn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
COMT P21964 6/20 0.52
HPGDS O60760 2/20 0.44
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PIM1 P11309 1/20 0.41
MAPK1 P28482 1/20 0.40
SCN4A P35499 2/20 0.39
PDPK1 O15530 1/20 0.39
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LPO P22079 1/20 0.38

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
SCHEMBL308400 0.73 LPO (0.55) NPC1ALDH1A1RAB9APOLBBRD4
SCHEMBL1345649 0.73 LPO (0.38) NPC1RAB9ASMN1; SMN2PIM1BRD4
Hydrochloric Acid SCHEMBL1806963 0.71 LPO (0.52) NPC1ALDH1A1RAB9APOLBBRD4
SCHEMBL31153305 0.71 LPO (0.52) NPC1ALDH1A1RAB9APOLBBRD4
SCHEMBL11983702 0.69 CCR1 (0.59) COMTHPGDSNPC1ALDH1A1RAB9A
SCHEMBL3068150 0.68 SCN4A (0.62) COMTHPGDSNPC1ALDH1A1RAB9A
SCHEMBL1345577 0.68 MAPK1 (0.38) NPC1ALDH1A1RAB9AMAPK1BRD4
SCHEMBL1343637 0.67 CCNC (0.34) NPC1RAB9ABRD4KDM4ECASP1
SCHEMBL21241222 0.67 COMT (0.53) COMTHPGDSNPC1ALDH1A1RAB9A
SCHEMBL28401656 0.66 KDM4E (0.51) NPC1ALDH1A1RAB9ASMN1; SMN2POLB

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-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