SCHEMBL7026540

SCHEMBL7026540

CN(Cc1cccc(CBr)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
HPGD P15428 2/20 0.50
AOC3 Q16853 3/20 0.49
RIPK1 Q13546 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL3236512 0.85 RAB9A (0.50) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL2634610 0.84 RIPK1 (0.64) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL180384 0.82 NPC1 (0.73) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL7027390 0.81 AOC3 (0.52) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL17266198 0.81 MEN1 (0.67) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL4836068 0.81 MEN1 (0.63) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL18316998 0.81 KMT2A (0.54) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL3650924 0.81 HSD11B1 (0.58) KMT2AMEN1NPC1RAB9ACA12
Hydrochloric Acid SCHEMBL11786759 0.81 NPC1 (0.70) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL7027999 0.80 CA12 (0.51) KMT2AMEN1NPC1RAB9ACA12

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
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed