SCHEMBL8410641

SCHEMBL8410641

N#CCC(CC#N)C(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 2/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45

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
SCHEMBL27707675 0.80 CYP1A2 (0.55) MEN1KMT2APOLBCYP1A2CYP2C19
SCHEMBL21056246 0.77 MEN1 (0.61) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL9338808 0.76 MEN1 (0.59) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL29154468 0.76 MEN1 (0.59) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL4681925 0.76 MEN1 (0.86) MEN1KMT2APOLBCYP1A2CYP2C19
SCHEMBL7615195 0.76 MEN1 (0.59) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL11344840 0.74 POLB (0.53) MEN1KMT2APOLBCYP1A2CYP2C19
SCHEMBL2782602 0.73 POLB (0.52) MEN1KMT2APOLBCYP1A2CYP2C19
SCHEMBL9223095 0.73 ALDH1A1 (0.56) MEN1KMT2APOLBCYP1A2CYP2C19
SCHEMBL20621920 0.73 MEN1 (0.65) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4239776-A Anti-androgenic amides IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-16 US claimed
EP-0002309-A2 Acylanilides, process for their manufacture and pharmaceutical and veterinary compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-13 EP claimed
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-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
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
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