SCHEMBL882783

SCHEMBL882783

CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2R P25116 8/20 0.70
LMNA P02545 2/20 0.64
MAPK10 P53779 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ALDH1A1 P00352 3/20 0.61
MAPT P10636 2/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.59
CDYL Q9Y232 1/20 0.56
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL882738 0.87 F2R (0.70) F2RLMNAMAPK10HSD17B10ALDH1A1
SCHEMBL18025116 0.84 F2R (0.82) F2RALDH1A1MAPTHPGDKMT2A
SCHEMBL29766853 0.83 F2R (1.00) F2RKMT2A
SCHEMBL882467 0.83 F2R (1.00) F2RKMT2A
SCHEMBL10069464 0.77 F2R (0.70) F2RLMNAALDH1A1MAPTHPGD
SCHEMBL882468 0.76 F2R (0.85) F2RMAPK10ALDH1A1KMT2AMEN1
SCHEMBL13171396 0.76 PNLIP (0.64) F2RLMNAALDH1A1MAPTHPGD
SCHEMBL882797 0.75 F2R (1.00) F2RLMNAALDH1A1
SCHEMBL882742 0.74 F2R (1.00) F2RALDH1A1
SCHEMBL10069483 0.74 F2R (1.00) F2RLMNAALDH1A1HPGDKMT2A

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