SCHEMBL882810

SCHEMBL882810

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 1.00
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 3/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HTT P42858 1/20 0.55

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
SCHEMBL10069979 0.87 F2R (0.76) F2RKMT2AALDH1A1NPC1RAB9A
SCHEMBL10069454 0.84 F2R (0.72) F2RKMT2AALDH1A1NPC1RAB9A
SCHEMBL874580 0.82 F2R (1.00) F2RKMT2AALDH1A1NPC1RAB9A
SCHEMBL11591396 0.82 NPC1 (0.78) F2RKMT2ANPC1RAB9A
SCHEMBL29168826 0.81 RAB9A (0.73) F2RKMT2AMEN1ALDH1A1NPC1
SCHEMBL10069451 0.81 KMT2A (0.79) F2RKMT2AMEN1NPC1RAB9A
SCHEMBL30758595 0.81 RAB9A (0.73) F2RKMT2AMEN1ALDH1A1NPC1
SCHEMBL10069963 0.80 F2R (0.67) F2RKMT2AMEN1ALDH1A1NPC1
SCHEMBL10069461 0.80 F2R (1.00) F2RKMT2AMEN1ALDH1A1NPC1
SCHEMBL10069966 0.78 SMN1; SMN2 (0.77) F2RKMT2AMEN1ALDH1A1NPC1

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