SCHEMBL10069979

SCHEMBL10069979

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

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.76
KMT2A Q03164 1/20 0.68
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL882810 0.87 F2R (1.00) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL10069461 0.81 F2R (1.00) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL10069969 0.81 KMT2A (0.67) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL874580 0.81 F2R (1.00) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL10069454 0.79 F2R (0.72) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL882467 0.79 F2R (1.00) F2RKMT2A
SCHEMBL29766853 0.79 F2R (1.00) F2RKMT2A
SCHEMBL882761 0.78 F2R (1.00) F2RKMT2ANPC1RAB9AALDH1A1
SCHEMBL21282751 0.77 KMT2A (0.59) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11591396 0.77 NPC1 (0.78) F2RKMT2ANPC1RAB9A

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