SCHEMBL7302603

SCHEMBL7302603

Cc1c(C)c2ccc(OCc3csc(Br)c3Br)cc2oc1=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.63
MAOB P27338 10/20 0.58
MAOA P21397 2/20 0.56
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL7297436 0.82 ACHE (0.62) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL7294583 0.80 ACHE (0.66) ACHEMAOBMAOA
SCHEMBL5617972 0.78 ACHE (1.00) ACHEMAOBMAOA
SCHEMBL7301020 0.78 ACHE (0.65) ACHEMAOBMAOA
SCHEMBL7302273 0.78 ACHE (0.70) ACHEMAOBMAOA
SCHEMBL7295186 0.77 ACHE (0.62) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL7436425 0.77 MAOB (0.82) ACHEMAOBMAOA
SCHEMBL7301896 0.76 ACHE (0.67) ACHEMAOBMAOA
SCHEMBL5618254 0.76 ACHE (0.77) ACHEMAOBMAOAKDM4EALDH1A1
SCHEMBL7294525 0.75 ACHE (0.59) ACHEMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363796-B1 HETEROCYCLICALLY SUBSTITUTED ALKOXYCOUMARINES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING SAME BASF Aktiengesellschaft (DE) 1993-08-11 EP disclosed
US-5227392-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5073563-A Enzyme inhibitors, CNS BASF AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed
EP-0363796-A1 Heterocyclically substituted alkoxycoumarines, method for their preparation and therapeutical agents containing same BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed