SCHEMBL7302695

SCHEMBL7302695

Cc1c(C)c2ccc(OCc3csc(C(C)C)n3)cc2oc1=S

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.51
ACHE P22303 7/20 0.42
F2RL3 Q96RI0 1/20 0.42
MAOA P21397 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5617690 0.88 MAOB (0.66) MAOBACHEMAOA
SCHEMBL7304194 0.80 MAOB (0.78) MAOBACHE
SCHEMBL7305804 0.77 MAOB (0.44) MAOBACHEMAOA
SCHEMBL9136411 0.75 MAOB (0.44) MAOBF2RL3MEN1KMT2A
SCHEMBL7294525 0.74 ACHE (0.59) MAOBACHEMAOA
SCHEMBL7312144 0.71 MAOB (0.47) MAOBACHEMAOA
SCHEMBL7302999 0.71 MAOB (0.49) MAOBACHEMAOA
SCHEMBL7316699 0.70 ALDH1A1 (0.44) MAOBACHEMAOA
SCHEMBL7314399 0.70 MAOB (0.55) MAOBACHEMAOA
SCHEMBL5618346 0.69 MAOB (0.53) MAOBACHEMAOA

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
US-5414006-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1995-05-09 US disclosed
EP-0594036-A1 Arylalkyloxythiocoumarines, process for their preparation and therapeutical agents containing them BASF Aktiengesellschaft (DE) 1994-04-27 EP disclosed