SCHEMBL10069461

SCHEMBL10069461

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 1.00
KMT2A Q03164 3/20 1.00
MEN1 O00255 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
GAA P10253 1/20 0.61
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.59
NR4A1 P22736 1/20 0.59

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
SCHEMBL882467 0.89 F2R (1.00) F2RKMT2A
SCHEMBL29766853 0.89 F2R (1.00) F2RKMT2A
SCHEMBL882468 0.87 F2R (0.85) F2RKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL874580 0.85 F2R (1.00) F2RKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL11873573 0.84 KMT2A (0.72) F2RKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL10069454 0.84 F2R (0.72) F2RKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL882761 0.82 F2R (1.00) F2RKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL10069972 0.81 F2R (0.68) F2RKMT2ARAB9ANPC1
SCHEMBL10069979 0.81 F2R (0.76) F2RKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL882689 0.81 F2R (1.00) F2RKMT2ASMN1; SMN2RAB9ANPC1

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