SCHEMBL882802

SCHEMBL882802

CCCC(=O)Nc1cccc(NC(=O)c2c(Cl)cccc2Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 1.00
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.57

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
SCHEMBL882797 0.81 F2R (1.00) F2RALDH1A1LMNAHTT
SCHEMBL29766853 0.81 F2R (1.00) F2RKMT2A
SCHEMBL882467 0.81 F2R (1.00) F2RKMT2A
SCHEMBL882742 0.80 F2R (1.00) F2RALDH1A1HTT
SCHEMBL10975643 0.79 F2R (0.73) F2RALDH1A1HPGD
SCHEMBL10069483 0.79 F2R (1.00) F2RALDH1A1KMT2AMEN1LMNA
SCHEMBL882768 0.79 F2R (1.00) F2RALDH1A1KMT2AMEN1HTT
SCHEMBL2845491 0.78 F2R (0.63) F2RKMT2AMEN1LMNAHTT
SCHEMBL10069967 0.76 KMT2A (0.85) F2RALDH1A1KMT2AMEN1HTT
SCHEMBL882800 0.76 F2R (0.67) F2RALDH1A1KMT2AMEN1LMNA

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