SCHEMBL9136381

SCHEMBL9136381

Cc1c(C)c2ccc(OCc3nnc(C4CC4)s3)cc2sc1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TBXAS1 P24557 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5617596 0.82 MAOB (0.67) MAOBMAPTKDM4E
SCHEMBL9139305 0.81 MAOB (0.47) MAOBKDM4ERAB9ASMN1; SMN2TBXAS1
SCHEMBL9136120 0.81 ALDH1A1 (0.35) MAOBMAPTKDM4EMAPK1HSD17B10
SCHEMBL9134576 0.80 MAOB (0.68) MAOBMAPTKDM4ERAB9ATBXAS1
SCHEMBL7308829 0.77 MAOB (0.53) MAOBMAPTKDM4E
SCHEMBL9135488 0.73 MAOB (0.43) MAOBMAPTKDM4EHSD17B10
SCHEMBL9311594 0.72 ALDH1A1 (0.40) RAB9AMAPK1SMN1; SMN2HSD17B10
SCHEMBL9309967 0.70 RAB9A (0.37) MAPTKDM4ERAB9AMAPK1SMN1; SMN2
SCHEMBL9135893 0.70 RAB9A (0.39) RAB9A
SCHEMBL9135400 0.70 MAOB (0.42) MAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5414006-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1995-05-09 US disclosed