SCHEMBL1387624

SCHEMBL1387624

CN1C(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C(=O)C1(C)CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.60
LMNA P02545 4/20 0.60
PGR P06401 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
ALOX12 P18054 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
RAB9A P51151 1/20 0.60
PDE4D Q08499 1/20 0.60
SIRT6 Q8N6T7 1/20 0.50
HPGD P15428 1/20 0.42

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
SCHEMBL1387630 0.90 AR (0.61) ARLMNAPGRSMN1; SMN2MEN1
SCHEMBL4026041 0.85 AR (0.70) ARLMNAPGRSMN1; SMN2MEN1
SCHEMBL10554082 0.80 AR (0.73) ARLMNAPGRSMN1; SMN2MEN1
SCHEMBL634846 0.80 AR (0.64) ARLMNAPGRSMN1; SMN2MEN1
SCHEMBL633883 0.80 AR (0.64) ARLMNAPGRSMN1; SMN2MEN1
SCHEMBL1387685 0.80 AR (0.66) ARPGR
SCHEMBL10554935 0.80 AR (0.73) ARLMNAPGRSMN1; SMN2MEN1
SCHEMBL332412 0.80 AR (0.73) ARLMNAPGRSMN1; SMN2MEN1
SCHEMBL633848 0.79 AR (0.62) ARLMNAPGRSMN1; SMN2MEN1
SCHEMBL633318 0.79 AR (0.62) ARLMNAPGRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750553-A ANTIANDROGENIC AGENTS ROUSSEL UCLAF (FR) 1998-05-12 US claimed
JP-H09507241-A 1997-07-22 JP claimed
EP-0738263-A1 NOVEL OPTIONALLY SUBSTITUTED PHENYLIMIDAZOLIDINES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL UCLAF (FR) 1996-10-23 EP claimed
WO-1995018794-A1 NOVEL OPTIONALLY SUBSTITUTED PHENYLIMIDAZOLIDINES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL UCLAF (FR) 1995-07-13 WO claimed
EP-0738263-B1 SUBSTITUTED PHENYLIMIDAZOLIDINES HAVING ANTIANDROGEN ACTIVITY AVENTIS PHARMA SA (FR) 2001-04-04 EP disclosed
US-5750553-A ANTIANDROGENIC AGENTS ROUSSEL UCLAF (FR) 1998-05-12 US disclosed
EP-0738263-A1 NOVEL OPTIONALLY SUBSTITUTED PHENYLIMIDAZOLIDINES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL UCLAF (FR) 1996-10-23 EP disclosed
WO-1995018794-A1 NOVEL OPTIONALLY SUBSTITUTED PHENYLIMIDAZOLIDINES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL UCLAF (FR) 1995-07-13 WO disclosed