SCHEMBL8435973

SCHEMBL8435973

COC(=O)c1sc2cc(OC)ccc2c1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
ALDH1A1 P00352 7/20 0.66
HPGD P15428 5/20 0.66
HSD17B10 Q99714 5/20 0.66
MAPT P10636 4/20 0.66
GAA P10253 4/20 0.66
GLA P06280 3/20 0.66
ALOX15 P16050 3/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
ATM Q13315 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 2/20 0.61
HTT P42858 3/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
NCOA1 Q15788 1/20 0.59
RCE1 Q9Y256 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
NPSR1 Q6W5P4 2/20 0.57

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
SCHEMBL7400876 0.86 MAPK1 (0.58) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL30570855 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8142110 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL31015931 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2955131 0.84 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4656286 0.83 CES2 (0.61) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL3494392 0.83 MAPK1 (0.65) KDM4EALDH1A1MAPTGAAATM
SCHEMBL8412494 0.82 NPSR1 (0.74) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL8139074 0.81 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2961556 0.80 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10MAPT

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-5969146-A MONOAMINE OXIDASE INHIBITORS SYNTHELABO (FR) 1999-10-19 US disclosed