SCHEMBL11512367

SCHEMBL11512367

CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(C)(F)F)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.83
CYP3A4 P08684 2/20 0.83
ALDH1A1 P00352 2/20 0.83
CES2 O00748 1/20 0.83
ABCB11 O95342 1/20 0.83
LMNA P02545 1/20 0.83
CYP1A2 P05177 1/20 0.83
GLA P06280 1/20 0.83
ADORA3 P0DMS8 1/20 0.83
CHRM1 P11229 1/20 0.83
CYP2C9 P11712 1/20 0.83
ALOX15 P16050 1/20 0.83
TSHR P16473 1/20 0.83
TBXA2R P21731 1/20 0.83
AADAC P22760 1/20 0.83
MAPK1 P28482 1/20 0.83
CYP2C19 P33261 1/20 0.83
ADRA1A P35348 1/20 0.83
HTT P42858 1/20 0.83
HTR6 P50406 1/20 0.83

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
Flutamide SCHEMBL1461845 0.91 AR (1.00) ARCYP3A4ALDH1A1CES2ABCB11
Flutamide SCHEMBL3934 0.91 AR (1.00) ARCYP3A4ALDH1A1CES2ABCB11
Flutamide SCHEMBL29349783 0.91 AR (1.00) ARCYP3A4ALDH1A1CES2ABCB11
Flutamide SCHEMBL28162762 0.90 AR (0.97) ARCYP3A4ALDH1A1CES2ABCB11
Flutamide SCHEMBL21753660 0.90 AR (0.97) ARCYP3A4ALDH1A1CES2ABCB11
Flutamide SCHEMBL679388 0.87 AR (0.93) ARCYP3A4ALDH1A1CES2ABCB11
Flutamide SCHEMBL7104567 0.86 AR (0.90) ARCYP3A4ALDH1A1CES2ABCB11
Flutamide SCHEMBL1028216 0.84 AR (0.86) ARCYP3A4ALDH1A1CES2ABCB11
SCHEMBL11312186 0.82 ALDH1A1 (0.70) ARCYP3A4ALDH1A1CES2ABCB11
SCHEMBL11315093 0.81 LMNA (0.69) ARCYP3A4ALDH1A1CES2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161540-A SUBSTITUTED ANILIDE SCHERING CORPORATION (US) 1979-07-17 US disclosed
US-4144270-A NITRO OR HALOGEN SUBSTITUTED CARBOCYCLIC AMIDES SCHERING CORPORATION (US) 1979-03-13 US disclosed
US-4139638-A NITRO OR HALOGEN SUBSTITUTED ANILIDES, ANTIANDROGENS, ACNE, CANCER SCHERING CORPORATION (US) 1979-02-13 US disclosed
US-3995060-A SUBSTITUTED ANILIDES SCHERING CORPORATION (US) 1976-11-30 US disclosed