SCHEMBL19309810

SCHEMBL19309810

C1=Cc2sc3cnccc3c2C=CN=1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ RCE1 Q9Y256 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL26427013 0.81 HASPIN (0.33) —
SCHEMBL26427011 0.81 HASPIN (0.33) —
SCHEMBL26427010 0.69 ALDH1A1 (0.34) KDM4EALDH1A1CASP1HTTCASP7
SCHEMBL26427014 0.69 ALDH1A1 (0.34) KDM4EALDH1A1CASP1HTTCASP7
SCHEMBL19309592 0.69 IDO1 (0.33) —
SCHEMBL19721361 0.68 KDM4E (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL20124311 0.68 KDM4E (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL11885002 0.66 KDM4E (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL20427622 0.64 CYP2A6 (0.32) —
SCHEMBL22104644 0.63 — —

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-9755159-B2 Organic materials for OLEDs UNIVERSAL DISPLAY CORPORATION (US) 2017-09-05 — — US disclosed
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