SCHEMBL13745688

SCHEMBL13745688

CC(C)(NCc1ccc(F)cc1Nc1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
RORC P51449 7/20 0.40
TP53 P04637 1/20 0.38
EPHX2 P34913 1/20 0.38
NPY5R Q15761 1/20 0.37
ACACB O00763 2/20 0.37
MCHR1 Q99705 4/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL13746288 0.88 MAPK14 (0.38) EPHX2
SCHEMBL13745415 0.80 AR (0.44) TP53
SCHEMBL14295100 0.79 NTRK1 (0.44) KMT2A
SCHEMBL1206917 0.78 AR (0.45) RORCACACB
SCHEMBL8021637 0.75 RORC (0.40) RORC
SCHEMBL8024928 0.72 AR (0.48)
SCHEMBL8015251 0.71 AR (0.46) KMT2A
SCHEMBL1208076 0.69 AR (0.43) EPHX2ACACB
SCHEMBL8005353 0.69 CNR1 (0.46) KMT2A
SCHEMBL3669673 0.69 AR (0.42) KMT2AACACB

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-2009098000-A1 HETEROCYCLICALLY-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed