SCHEMBL9520675

SCHEMBL9520675

C#CCCCOc1c(Cl)cc(C#N)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
MAOA P21397 2/20 0.33
HSP90B1 P14625 1/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PLAU P00749 1/20 0.32
VCAM1 P19320 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
SCN8A Q9UQD0 1/20 0.30

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
SCHEMBL8137092 0.80 SCN8A (0.41) MAOBCA12CA9MAOAHSP90B1
SCHEMBL10764567 0.77 PLAU (0.34) HPGDL3MBTL1MAPTMAPK1PLAU
SCHEMBL9523339 0.74 SCN8A (0.39) MAOBMAOAMAPTSCN8A
SCHEMBL8876567 0.74 SCN8A (0.39) MAOBMAOAMAPTSCN8A
SCHEMBL9521685 0.72 HRH3 (0.50) MAOBCA12CA9MAOAMAPT
SCHEMBL13623362 0.71 ALDH1A1 (0.35) MAOBCA12CA9MAOAHSP90B1
SCHEMBL8875626 0.67 NR1I2 (0.45) HPGDL3MBTL1MAPTMAPK1
SCHEMBL9376589 0.67 MAOB (0.57) MAOBMAPK1MRGPRX4
SCHEMBL9786326 0.66 ALDH3A1 (0.50) MAOBCA12CA9MAOA
SCHEMBL920034 0.63 MAOB (0.44) MAOBCA12CA9MAOA

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