SCHEMBL10069971

SCHEMBL10069971

O=C(CC1CCCCC1)Nc1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.67
KMT2A Q03164 4/20 0.64
EPHX2 P34913 2/20 0.61
NPC1 O15118 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 1/20 0.57
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL10069981 0.99 F2R (0.68) F2RKMT2AEPHX2NPC1TDP1
SCHEMBL10069973 0.96 F2R (0.65) F2RKMT2AEPHX2NPC1TDP1
SCHEMBL10069972 0.94 F2R (0.68) F2RKMT2AEPHX2NPC1RAB9A
SCHEMBL10069440 0.81 F2R (0.97) F2RKMT2A
SCHEMBL10069456 0.80 F2R (1.00) F2RKMT2A
SCHEMBL10069461 0.78 F2R (1.00) F2RKMT2ANPC1RAB9AMEN1
SCHEMBL10069476 0.78 F2R (0.95) F2RKMT2ANPC1RAB9A
SCHEMBL3822162 0.77 EPHX2 (1.00) KMT2AEPHX2NPC1TDP1TSHR
SCHEMBL10069458 0.77 F2R (0.90) F2RKMT2ANPC1RAB9A
SCHEMBL3766917 0.76 F2R (0.63) F2RKMT2ANPC1RAB9AMEN1

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