SCHEMBL9523748

SCHEMBL9523748

C#CCCCOc1ccc(C#N)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.51
MAOB P27338 8/20 0.43
MAOA P21397 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL13784760 0.85 AR (0.62) ARKDM4EUSP2ALDH1A1
SCHEMBL9635738 0.84 AR (0.55) ARMAOBMAOANPC1RAB9A
SCHEMBL5842342 0.81 AR (0.52) ARMAOBMAOANPC1RAB9A
SCHEMBL31753532 0.79 MAOB (0.45) MAOBMAOACA12CA9
SCHEMBL13367745 0.79 AR (0.59) ARNPC1RAB9AKDM4EUSP2
SCHEMBL1608900 0.76 AR (0.69) ARCA12CA9KDM4EUSP2
SCHEMBL9786397 0.74 MAPT (0.50) MAOBMAOACA12CA9NPC1
SCHEMBL19614570 0.74 AR (0.54) ARALDH1A1
SCHEMBL6288611 0.73 MAOB (0.55) ARMAOBMAOA
SCHEMBL2133552 0.73 TNF (0.49) ARMAOBMAOANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523803-A1 1,2,4-Oxadiazolyl-phenoxy-alkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1993-01-20 EP disclosed
US-5175177-A 1,2,4-OXADIAZOLYL-PHENOXYALKYLISOXAZOLES AND THEIR USE AS ANTIVIRAL AGENTS STERLING DRUG INC. (US) 1992-12-29 US disclosed