SCHEMBL10069458

SCHEMBL10069458

O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1Br

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.90
KMT2A Q03164 1/20 0.65
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
RXFP1 Q9HBX9 1/20 0.56
GAA P10253 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
SCHEMBL10069476 0.95 F2R (0.95) F2RKMT2ANPC1RAB9AKCNK3
SCHEMBL10069456 0.95 F2R (1.00) F2RKMT2AKCNK3KCNK9RXFP1
SCHEMBL10069440 0.93 F2R (0.97) F2RKMT2AKCNK3KCNK9RXFP1
SCHEMBL22362620 0.86 F2R (0.72) F2RKMT2ANPC1RAB9AKCNK3
SCHEMBL22362611 0.81 F2R (0.69) F2RKMT2ANPC1RAB9A
SCHEMBL10069972 0.80 F2R (0.68) F2RKMT2ANPC1RAB9ARXFP1
SCHEMBL10069454 0.80 F2R (0.72) F2RKMT2ANPC1RAB9A
SCHEMBL10069451 0.80 KMT2A (0.79) F2RKMT2ANPC1RAB9AKCNK3
SCHEMBL810165 0.80 ALDH1A1 (0.68) F2RKMT2ANPC1RAB9ARXFP1
SCHEMBL10069461 0.79 F2R (1.00) F2RKMT2ANPC1RAB9AGAA

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