SCHEMBL10069963

SCHEMBL10069963

CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.67
KMT2A Q03164 2/20 0.67
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.52

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
SCHEMBL10069474 0.87 F2R (0.68) F2RKMT2ANPC1RAB9ARXFP1
SCHEMBL10069454 0.84 F2R (0.72) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL16722802 0.81 NPSR1 (0.76) KMT2ANPC1RAB9AALDH1A1NPSR1
SCHEMBL29168826 0.81 RAB9A (0.73) F2RKMT2ANPC1RAB9ARXFP1
SCHEMBL30758595 0.81 RAB9A (0.73) F2RKMT2ANPC1RAB9ARXFP1
SCHEMBL10069451 0.81 KMT2A (0.79) F2RKMT2ANPC1RAB9AMEN1
SCHEMBL10069461 0.80 F2R (1.00) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL882810 0.80 F2R (1.00) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL10069968 0.78 RAB9A (0.71) KMT2ANPC1RAB9AALDH1A1NPSR1
SCHEMBL882467 0.78 F2R (1.00) F2RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed