SCHEMBL7501564

SCHEMBL7501564

CCS(=O)(=O)Nc1cc(N)c(F)cc1C#N.CCS(=O)(=O)Nc1cc(NC(=O)CC(=O)C(F)(F)F)c(F)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.35
PSIP1 O75475 1/20 0.32
BRD4 O60885 1/20 0.31
MRGPRX1 Q96LB2 2/20 0.31
AR P10275 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL8054362 0.94 PGR (0.39) PGRPSIP1BRD4MRGPRX1AR
SCHEMBL7503558 0.84 PLA2G7 (0.33) AR
SCHEMBL6577272 0.82 PSIP1 (0.44) PGRPSIP1BRD4AR
SCHEMBL7498888 0.77 USP30 (0.41) AR
SCHEMBL6662088 0.74 NLRP3 (0.44) PGRPSIP1BRD4MRGPRX1AR
SCHEMBL7753799 0.74 PGR (0.45) PGRPSIP1BRD4ARCA1
SCHEMBL6573122 0.72 PGR (0.50) PGRPSIP1BRD4AR
SCHEMBL7753456 0.72 PGR (0.37) PGRPSIP1BRD4MRGPRX1AR
SCHEMBL7753458 0.70 PGR (0.35) PGRPSIP1BRD4MRGPRX1AR
SCHEMBL6573215 0.70 PGR (0.36) PGRAR

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
EP-0948482-B1 METHOD FOR PRODUCING TRIFLUOROACETOACETIC ACID ANILIDES BAYER AG (DE) 2002-04-03 EP disclosed
EP-0948482-A2 METHOD FOR PRODUCING TRIFLUOROACETOACETIC ACID ANILIDES BAYER AG (DE) 1999-10-13 EP disclosed
WO-1998027057-A2 METHOD FOR PRODUCING TRIFLUOROACETOACETIC ACID ANILIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed