SCHEMBL4732504

SCHEMBL4732504

CC1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.61
CYP3A4 P08684 2/20 0.61
LMNA P02545 2/20 0.61
CES2 O00748 1/20 0.61
ABCB11 O95342 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
GLA P06280 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
TBXA2R P21731 1/20 0.61
AADAC P22760 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
ADRA1A P35348 1/20 0.61
HTT P42858 1/20 0.61
HTR6 P50406 1/20 0.61

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
SCHEMBL13695984 1.00 AR (0.61) ARCYP3A4LMNACES2ABCB11
SCHEMBL14086872 1.00 AR (0.61) ARCYP3A4LMNACES2ABCB11
SCHEMBL17768285 0.91 LMNA (0.56) ARCYP3A4LMNACES2ABCB11
SCHEMBL14086874 0.86 AR (0.54) ARCYP3A4LMNACES2ABCB11
SCHEMBL6815986 0.82 AR (0.73) ARCYP3A4LMNACES2ABCB11
SCHEMBL20112813 0.81 LMNA (0.62) ARLMNA
SCHEMBL201864 0.79 AR (0.48) ARCYP3A4LMNACES2ABCB11
SCHEMBL13244699 0.78 AR (0.48) ARCYP3A4LMNACES2ABCB11
SCHEMBL201851 0.78 AR (0.55) ARCYP3A4LMNACES2ABCB11
SCHEMBL4959122 0.78 AR (0.71) ARCYP3A4LMNACES2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016079522-A1 ANDROGEN RECEPTOR MODULATORS AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2016-05-26 WO disclosed
WO-2008044033-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2008-04-17 WO disclosed
US-6828458-B2 Topical antiandrogen for hair loss and other hyperandrogenic conditions BIOPHYSICA, INC. 2004-12-07 US disclosed
US-6472415-B1 Androgen receptor suppressors in the therapy and diagnosis of prostate cancer, alopecia and other hyper-androgenic syndromes BIOPHYSICA, INC. 2002-10-29 US disclosed
US-6184249-B1 Androgen receptor suppressors in the therapy and diagnosis of prostate cancer, alopecia and other hyper-androgenic syndromes BIOPHYSICA, INC. 2001-02-06 US disclosed
US-4636505-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-13 US disclosed
EP-0100172-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-08 EP disclosed