SCHEMBL8519174

SCHEMBL8519174

N#Cc1ccc(N)c(C(=O)C2CC2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.37
EGFR P00533 1/20 0.36
LRRK2 Q5S007 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ELANE P08246 5/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
HSD11B1 P28845 2/20 0.33
GAA P10253 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
RIPK1 Q13546 1/20 0.32
MGLL Q99685 1/20 0.32

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 0.72 AR (0.38) TSHRHSD11B1
SCHEMBL8519615 0.69 KDM4E (0.36) GAAKDM4E
SCHEMBL28432192 0.69 HDAC1 (0.46) RAB9ALMNA
SCHEMBL10975698 0.68 PDK1 (0.43) HSD11B1
SCHEMBL30228709 0.68 EGFR (0.40) EGFRNPC1RAB9ALMNATSHR
SCHEMBL10734596 0.67 KDM4E (0.36) LMNATSHRSMN1; SMN2ADORA2AADORA1
SCHEMBL8518922 0.67 ALDH1A1 (0.33) KDM4E
SCHEMBL10984328 0.67 AR (0.34)
SCHEMBL726934 0.67 TSHR (0.44) EGFRNPC1RAB9ALMNATSHR
SCHEMBL4847948 0.66 UPP1 (0.35) GAAKDM4E

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