SCHEMBL7969979

SCHEMBL7969979

COc1ccc(Cn2c(=O)cnc3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PIK3R1 P27986 1/20 0.49
PIK3CA P42336 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
DCTPP1 Q9H773 1/20 0.46
MEN1 O00255 1/20 0.46
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL7979757 0.91 MAPT (0.50) MAPTSMN1; SMN2PIK3R1PIK3CANPC1
SCHEMBL30807014 0.86 PKM (0.55) RAB9AKMT2AMEN1CNR2CNR1
SCHEMBL21608846 0.81 PIK3R1 (0.51) MAPTSMN1; SMN2PIK3R1PIK3CAKMT2A
SCHEMBL30806660 0.81 CFTR (0.52) MAPTKMT2A
SCHEMBL21609024 0.78 PDE1B (0.50) MAPTSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL7225918 0.78 MEN1 (0.70) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL30934954 0.78 MEN1 (0.70) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL30806751 0.77 ALOX5 (0.44) MAPTKMT2AMEN1
SCHEMBL7979884 0.75 GABRA5 (0.68) PIK3R1PIK3CA
SCHEMBL20401101 0.74 GLS (0.57) MAPTSMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed