SCHEMBL8519255

SCHEMBL8519255

CC(C)(O)C(=O)c1c(N)ccc([N+](=O)[O-])c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.35
CYP3A4 P08684 2/20 0.34
PGR P06401 1/20 0.34
TDP1 Q9NUW8 4/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL8519767 0.79 AR (0.38) ARTSHRPGRALDH1A1MAPK8
SCHEMBL11031347 0.74 AR (0.36) AR
SCHEMBL9516753 0.71 HTT (0.43) LMNARAB9AKMT2AMEN1POLB
SCHEMBL9314849 0.70 TDP1 (0.42) LMNATSHRRAB9ACYP3A4TDP1
SCHEMBL12972537 0.70 ALDH1A1 (0.41) ARLMNATSHRRAB9ACYP3A4
SCHEMBL10973969 0.69 AR (0.46) ARLMNATSHRCYP3A4PGR
SCHEMBL11649742 0.68 TDP1 (0.43) LMNATSHRRAB9ACYP3A4TDP1
SCHEMBL12972546 0.68 ALDH1A1 (0.41) ARLMNATSHRRAB9ACYP3A4
SCHEMBL4710342 0.67 RAB9A (0.45) LMNATSHRRAB9ACYP3A4TDP1
SCHEMBL8518907 0.67 AR (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
EP-0514056-A2 Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
US-4282218-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-08-04 US disclosed
US-4239776-A Anti-androgenic amides IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-16 US disclosed
EP-0002309-A2 Acylanilides, process for their manufacture and pharmaceutical and veterinary compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-13 EP disclosed