SCHEMBL20124311

SCHEMBL20124311

C[C@@H]1C=Cc2sc3cnccc3c2C=C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ MAPKAPK2 P49137 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ RPS6KA3 P51812 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
SCHEMBL19299443 0.77 GPR3 (0.40) KDM4EALDH1A1HPGDCASP1
SCHEMBL19721361 0.75 KDM4E (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL19721362 0.72 HPGD (0.36) ALDH1A1HPGD
SCHEMBL16383563 0.69 — —
SCHEMBL26042299 0.69 — —
SCHEMBL19309810 0.68 KDM4E (0.31) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL19937653 0.67 TDO2 (0.38) —
SCHEMBL11885002 0.67 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL22882248 0.64 PRNP (0.34) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL24623616 0.63 KDM4E (0.39) KDM4EALDH1A1GLAGAAHPGD

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
EP-3318566-A1 AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2018-05-09 — — EP disclosed
Send feedback