SCHEMBL7314399

SCHEMBL7314399

CCCc1nnc(COc2ccc3c(C)c(C)c(=S)oc3c2)s1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
ACHE P22303 6/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL7304194 0.83 MAOB (0.78) MAOBACHEALDH1A1KDM4EHPGD
SCHEMBL7308829 0.82 MAOB (0.53) MAOBACHEKDM4EMAOA
SCHEMBL7317654 0.77 ACHE (0.42) MAOBACHEALDH1A1KDM4EHPGD
SCHEMBL7302123 0.75 MAOB (0.77) MAOBACHEMAOA
SCHEMBL7312144 0.75 MAOB (0.47) MAOBACHEMAOA
SCHEMBL9139305 0.75 MAOB (0.47) MAOBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL7302999 0.74 MAOB (0.49) MAOBACHEALDH1A1KDM4EHPGD
SCHEMBL7301156 0.73 MAOB (0.70) MAOBACHEALDH1A1KDM4EHPGD
SCHEMBL7304856 0.72 MAOB (0.48) MAOBALDH1A1KDM4EHPGDSMN1; SMN2
Atibeprone SCHEMBL2111018 0.71 MAOB (1.00) 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