SCHEMBL11263644

SCHEMBL11263644

COC(=S)C(C)Oc1ccc(-c2ncc(Cl)cc2Cl)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33

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
SCHEMBL11147539 0.88 CNR2 (0.35) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL11263013 0.88 L3MBTL1 (0.34) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL10760195 0.87 ALDH1A1 (0.40) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL11270045 0.87 APP (0.35) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL11260667 0.86 L3MBTL1 (0.32) KDM4EALDH1A1LMNASMN1; SMN2CNR2
SCHEMBL11263454 0.86 ADORA2A (0.35) KDM4EALDH1A1LMNAHPGDCNR2
SCHEMBL10791367 0.86 L3MBTL1 (0.32) KDM4EALDH1A1LMNASMN1; SMN2CNR2
SCHEMBL9763694 0.84 TSHR (0.47) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL6732935 0.84 TSHR (0.47) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL11601818 0.84 L3MBTL1 (0.39) KDM4EALDH1A1GAALMNASMN1; SMN2

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-4309210-A HERBICIDE AND SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed