SCHEMBL7301233

SCHEMBL7301233

Cc1c(C)c2ccc(OCc3nc4ccccc4[nH]3)cc2oc1=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.61
MAOB P27338 5/20 0.61
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
TP53 P04637 3/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 1/20 0.55
TSHR P16473 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
SCHEMBL120030 0.86 MEN1 (0.69) ACHEMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7302411 0.79 ACHE (0.65) ACHEMAOB
SCHEMBL7432074 0.76 ACHE (1.00) ACHEMAOB
SCHEMBL5617972 0.75 ACHE (1.00) ACHEMAOB
SCHEMBL7297397 0.75 ACHE (0.69) ACHEMAOBNPC1RAB9AMEN1
SCHEMBL5618373 0.75 ACHE (0.77) ACHEMAOB
SCHEMBL5007637 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL2248644 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL7433200 0.74 ACHE (0.77) ACHEMAOB
SCHEMBL7301269 0.73 ACHE (0.78) ACHEMAOB

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