SCHEMBL882689

SCHEMBL882689

CCCCNc1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 14/20 1.00
KMT2A Q03164 1/20 0.68
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
RXFP1 Q9HBX9 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
SCHEMBL882468 0.85 F2R (0.85) F2RKMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL29766853 0.82 F2R (1.00) F2RKMT2A
SCHEMBL882467 0.82 F2R (1.00) F2RKMT2A
SCHEMBL10069461 0.81 F2R (1.00) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL10069454 0.79 F2R (0.72) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL882761 0.78 F2R (1.00) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL10069979 0.77 F2R (0.76) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL10069474 0.77 F2R (0.68) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL10069451 0.76 KMT2A (0.79) F2RKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL30758595 0.76 RAB9A (0.73) F2RKMT2ANPC1RAB9AALDH1A1

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