SCHEMBL4032141

SCHEMBL4032141

CC1(C)C(=O)NC(=S)N1c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.61
ABCG2 Q9UNQ0 1/20 0.53
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
NR1I2 O75469 1/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
KLK3 P07288 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
CNR1 P21554 1/20 0.52
TBXA2R P21731 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52

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
SCHEMBL4023707 0.88 AR (0.73) ARABCG2PGR
SCHEMBL4031752 0.81 AR (0.59) AR
SCHEMBL4032142 0.81 AR (0.80) ARPGR
SCHEMBL7035063 0.81 AR (0.87) ARABCG2GABRPGABRDNR1I2
SCHEMBL4022035 0.80 AR (0.65) ARABCG2PGR
SCHEMBL4023027 0.78 AR (0.74) ARPGR
SCHEMBL1387722 0.77 AR (0.58) ARABCG2PGR
SCHEMBL10073485 0.76 AR (0.79) ARABCG2GABRPGABRDNR1I2
SCHEMBL18456832 0.76 ABCG2 (0.79) ARABCG2GABRPGABRDNR1I2
SCHEMBL629858 0.76 AR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097996-A1 USE OF SUBSTITUTED PHENYLIMIDAZOLIDINES FOR PRODUCING MEDICAMENTS FOR TREATING METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed