SCHEMBL1521622

SCHEMBL1521622

c1ccc2c(c1)[nH]c1nnnnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
TP53 P04637 2/20 0.53
CASP1 P29466 2/20 0.53
MAPK10 P53779 2/20 0.53
CASP7 P55210 2/20 0.53
POLB P06746 1/20 0.53
CNR2 P34972 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GPR3 P46089 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 4/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA5A P35218 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL3957896 0.75 MAPT (0.57) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL29506315 0.75 MAPT (0.57) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL29506282 0.73 MAPT (0.65) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL903237 0.73 MAPT (0.65) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL6739008 0.73 MAPT (0.65) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL31485824 0.72 ALDH1A1 (0.48) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL29506294 0.72 ALDH1A1 (0.48) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL6689216 0.72 ALDH1A1 (0.48) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL10440555 0.71 PARP1 (0.55) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL31064654 0.71 SMN1; SMN2 (0.53) MAPTSMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012112758-A2 VIRTUAL HYDROGEN STORAGE PROCESSES AND RELATED CATALYSTS AND SYSTEMS YALE UNIVERSITY (US) 2012-08-23 WO claimed
US-7901491-B2 Hydrogen storage material and related system GENERAL ELECTRIC COMPANY (US) 2011-03-08 US claimed
US-20090246575-A1 HYDROGEN STORAGE MATERIAL AND RELATED SYSTEM GENERAL ELECTRIC COMPANY (US) 2009-10-01 US claimed
US-20080248339-A1 METHOD AND APPARATUS FOR ELECTROCHEMICAL ENERGY CONVERSION GENERAL ELECTRIC COMPANY (US) 2008-10-09 US claimed
US-20080248345-A1 METHOD AND APPARATUS FOR ELECTROCHEMICAL ENERGY CONVERSION GENERAL ELECTRIC COMPANY (US) 2008-10-09 US claimed
CN-119751485-A Organic compound with nitrogen-containing heterocyclic structure and stacked OLED light-emitting device 上海芯润晟科技有限公司 2025-04-04 CN disclosed
WO-2012112758-A2 VIRTUAL HYDROGEN STORAGE PROCESSES AND RELATED CATALYSTS AND SYSTEMS YALE UNIVERSITY (US) 2012-08-23 WO disclosed
US-7901491-B2 Hydrogen storage material and related system GENERAL ELECTRIC COMPANY (US) 2011-03-08 US disclosed
US-20090246575-A1 HYDROGEN STORAGE MATERIAL AND RELATED SYSTEM GENERAL ELECTRIC COMPANY (US) 2009-10-01 US disclosed
US-20080248339-A1 METHOD AND APPARATUS FOR ELECTROCHEMICAL ENERGY CONVERSION GENERAL ELECTRIC COMPANY (US) 2008-10-09 US disclosed
US-20080248345-A1 METHOD AND APPARATUS FOR ELECTROCHEMICAL ENERGY CONVERSION GENERAL ELECTRIC COMPANY (US) 2008-10-09 US disclosed