SCHEMBL9136120

SCHEMBL9136120

Cc1c(C)c2cc(Cl)c(OCc3nnc(C4CC4)s3)cc2sc1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 2/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
TSHR P16473 1/20 0.32
MAOB P27338 1/20 0.31
PDE10A Q9Y233 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9136381 0.81 MAOB (0.44) MAPK1HSD17B10KDM4EMAPTMAOB
SCHEMBL9134485 0.81 MAOB (0.49) ALDH1A1MAPK1PKMHSD17B10HPGD
SCHEMBL7311265 0.78 ALDH1A1 (0.42) ALDH1A1MAPK1PKMHSD17B10HPGD
SCHEMBL12728842 0.69 GPR84 (0.41) ALDH1A1MAPK1HPGDKDM4EMAPT
SCHEMBL5617596 0.67 MAOB (0.67) KDM4EMAPTMAOB
SCHEMBL7291668 0.67 ALDH1A1 (0.62) ALDH1A1MAPK1PKMHSD17B10HPGD
SCHEMBL5618385 0.63 ALDH1A1 (0.54) ALDH1A1MAPK1PKMHSD17B10HPGD
SCHEMBL9311594 0.60 ALDH1A1 (0.40) ALDH1A1MAPK1HSD17B10HPGDTSHR
SCHEMBL7301253 0.60 ALDH1A1 (0.46) ALDH1A1MAPK1PKMHSD17B10HPGD
SCHEMBL9309967 0.59 RAB9A (0.37) ALDH1A1MAPK1HSD17B10HPGDKDM4E

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