SCHEMBL7979757

SCHEMBL7979757

COc1ccc(Cn2c(=O)cnc3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
DCTPP1 Q9H773 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
SCHEMBL7969979 0.91 MAPT (0.50) MAPTSMN1; SMN2KMT2AMEN1PIK3R1
SCHEMBL7032527 0.81 QPCT (0.53) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL30934954 0.78 MEN1 (0.70) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL7225918 0.78 MEN1 (0.70) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9980488 0.78 PDE1B (0.56) SMN1; SMN2KMT2AMEN1DCTPP1
SCHEMBL30807014 0.76 PKM (0.55) KMT2AMEN1RAB9A
SCHEMBL4042951 0.76 PDE5A (0.54) MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL7979884 0.75 GABRA5 (0.68) PIK3R1PIK3CA
SCHEMBL9095882 0.74 ALDH1A1 (0.64) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2862612 0.74 IDO1 (0.56) MAPTSMN1; SMN2PIK3R1PIK3CADCTPP1

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 1 patent. 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