SCHEMBL9871263

SCHEMBL9871263

COc1ccc2c(c1)c1c(n2C)SCCC1=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
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 2/20 0.43
APAF1 O14727 1/20 0.43
PABPC1 P11940 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL9872175 0.90 KDM4E (0.48) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL9571788 0.77 ALDH1A1 (0.52) KDM4EHTTALDH1A1HPGDKMT2A
SCHEMBL9596229 0.76 ALDH1A1 (0.50) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL9871416 0.72 METAP1 (0.45) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL9871424 0.71 MAPT (0.40) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL9870438 0.71 CYP19A1 (0.48) KDM4EHTTALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL9873069 0.71 METAP1 (0.46) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL9870903 0.70 ALDH1A1 (0.47) KDM4EHTTALDH1A1HPGDKMT2A
SCHEMBL11047658 0.69 ALDH1A1 (0.81) KDM4EHTTALDH1A1MAPTHPGD
SCHEMBL829534 0.67 MAPT (0.53) KDM4EHTTALDH1A1MAPTHPGD

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