SCHEMBL628964

SCHEMBL628964

CCCCNC(=O)Nc1ccc(N2C(=O)N(CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)C(C)(C)C2=O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.37
PGR P06401 1/20 0.37
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 3/20 0.32
EPHX2 P34913 2/20 0.32

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
SCHEMBL629437 0.88 AR (0.37) ARPGRHDAC1
SCHEMBL14735662 0.83 AR (0.39) ARPGR
SCHEMBL629084 0.82 AR (0.47) ARPGRHDAC1
SCHEMBL629347 0.81 AR (0.42) ARPGR
SCHEMBL629295 0.79 AR (0.44) ARPGRHDAC1
SCHEMBL890673 0.78 AR (0.40) ARPGR
Hydrochloric Acid SCHEMBL891225 0.78 AR (0.44) ARPGRHDAC1
SCHEMBL629446 0.77 AR (0.46) ARPGRHDAC1
SCHEMBL629334 0.76 AR (0.38) ARPGRHDAC1
SCHEMBL628972 0.76 AR (0.50) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419410-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-02-22 EP disclosed
WO-2010119193-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2010-10-21 WO disclosed