SCHEMBL8407136

SCHEMBL8407136

CN(C(=O)C(CC#N)CC#N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.44
KMT2A Q03164 7/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 3/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RCE1 Q9Y256 1/20 0.37

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
SCHEMBL8407138 0.81 ALDH1A1 (0.54) KMT2AL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL4425563 0.79 TSHR (0.46) KMT2AL3MBTL1ALDH1A1CHRNB2CHRNB4
SCHEMBL8407133 0.76 NPC1 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL11209904 0.74 KMT2A (0.52) KMT2AALDH1A1LMNAMEN1HPGD
SCHEMBL1139982 0.72 MLYCD (0.54) KMT2AL3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL28211928 0.71 CHRNB2 (0.55) KMT2AL3MBTL1ALDH1A1CHRNB2CHRNB4
SCHEMBL9001866 0.71 MAPK1 (0.49) KMT2AL3MBTL1ALDH1A1CHRNB2CHRNB4
SCHEMBL28391469 0.71 KMT2A (0.46) KMT2AL3MBTL1CHRNB2CHRNB4CHRNA3
Acetonitrile SCHEMBL11793629 0.71 KMT2A (0.46) KMT2AL3MBTL1ALDH1A1POLBKDM4E
SCHEMBL17131371 0.71 KMT2A (0.46) KMT2AL3MBTL1ALDH1A1CHRNB2CHRNB4

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-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-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