SCHEMBL9872175

SCHEMBL9872175

COc1ccc2c3c(n(C)c2c1)SCCC3=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
HTT P42858 2/20 0.48
MAOA P21397 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 1/20 0.39
DYRK1A Q13627 1/20 0.39
MCHR1 Q99705 3/20 0.38
APAF1 O14727 1/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
PKM P14618 1/20 0.38
IDO1 P14902 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL9871263 0.90 KDM4E (0.48) KDM4EHTTALDH1A1MAPK1HSD17B10
SCHEMBL9571788 0.77 ALDH1A1 (0.52) KDM4EHTTALDH1A1MAPK1HSD17B10
SCHEMBL9879138 0.72 METAP1 (0.45) EGFR
SCHEMBL9871424 0.71 MAPT (0.40) KDM4EHTTALDH1A1HSD17B10MAPT
SCHEMBL9870438 0.71 CYP19A1 (0.48) KDM4EHTTALDH1A1MAPK1HSD17B10
SCHEMBL18288081 0.70 L3MBTL1 (0.60) KDM4EHTTMAOAALDH1A1MAPK1
SCHEMBL9870903 0.70 ALDH1A1 (0.47) KDM4EHTTALDH1A1MAPK1HSD17B10
SCHEMBL19430990 0.69 ALDH1A1 (0.63) KDM4EHTTMAOAALDH1A1HSD17B10
SCHEMBL28513249 0.67 ALDH1A1 (0.46) KDM4EHTTMAOAALDH1A1MAPK1
SCHEMBL30507425 0.67 ALDH1A1 (0.46) KDM4EHTTMAOAALDH1A1MAPK1

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-5030646-A Treatment of diseases resulting from disfunction of seretoninergic system ADIR ET COMPAGNIE (FR) 1991-07-09 US disclosed