SCHEMBL9135488

SCHEMBL9135488

Cc1nnc(COc2ccc3c(C)c(C)c(=O)sc3c2)o1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.43
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 6/20 0.39
CA9 Q16790 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
MAOA P21397 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
SCHEMBL7300837 0.79 ACHE (0.63) MAOBACHEMAOA
SCHEMBL9135400 0.76 MAOB (0.42) MAOBKDM4EALDH1A1HPGDACHE
SCHEMBL9139305 0.75 MAOB (0.47) MAOBKDM4EALDH1A1HPGD
SCHEMBL9134576 0.74 MAOB (0.68) MAOBKDM4EALDH1A1MAPTHPGD
SCHEMBL7312144 0.73 MAOB (0.47) MAOBACHEMAOA
SCHEMBL9136381 0.73 MAOB (0.44) MAOBKDM4EMAPTHSD17B10
SCHEMBL9134729 0.72 RAB9A (0.37) MAOBALDH1A1HPGDTSHRHSD17B10
SCHEMBL9136983 0.71 MAOB (0.39) MAOBALDH1A1HPGDTSHRHSD17B10
SCHEMBL9136411 0.70 MAOB (0.44) MAOBALDH1A1MAPT
SCHEMBL18264572 0.70 CPB1 (0.48) KDM4EUSP2ALDH1A1MAPTTSHR

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