SCHEMBL7908220

SCHEMBL7908220

CC(C)(NC(=O)c1ccc(Sn2nc(-c3ccc(Cl)cc3)n(C3CC3)c2=O)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.44
AVPR1A P37288 4/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MGLL Q99685 1/20 0.37
CCR2 P41597 1/20 0.36
EGFR P00533 4/20 0.36
TRPV4 Q9HBA0 3/20 0.35
HSD11B1 P28845 1/20 0.34
ACKR3 P25106 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL16167678 0.84 AVPR2 (0.43) AVPR2AVPR1AMEN1KMT2AMGLL
SCHEMBL8739503 0.80 AVPR2 (0.48) AVPR2AVPR1AMEN1KMT2ACCR2
SCHEMBL4499296 0.79 AVPR2 (0.55) AVPR2AVPR1ATP53
SCHEMBL2513250 0.79 AVPR2 (0.50) AVPR2AVPR1AMEN1KMT2ACCR2
SCHEMBL8233125 0.78 AVPR2 (0.53) AVPR2AVPR1AMEN1KMT2ATRPV4
SCHEMBL7913159 0.75 LMNA (0.43) MEN1KMT2A
SCHEMBL7916915 0.73 HSD11B1 (0.40) HSD11B1
SCHEMBL463144 0.73 AVPR2 (0.55) AVPR2AVPR1ATP53
SCHEMBL719285 0.72 AVPR2 (0.53) AVPR2AVPR1ATP53
SCHEMBL8232662 0.72 AVPR2 (0.46) AVPR2AVPR1AMGLLTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 WO disclosed