SCHEMBL10314951

SCHEMBL10314951

Cn1ccnc1-c1c2nc(c(C(F)(F)F)c3ccc([nH]3)c(-c3nncn3C)c3nc(c(C(F)(F)F)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TERT O14746 4/20 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
SCHEMBL12836952 0.91 KDM4E (0.36) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL12763748 0.87 KDM4E (0.36) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL1410106 0.80 TERT (0.43) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL1517339 0.80 TERT (0.43) TERT
SCHEMBL1409926 0.73 TOP1 (0.44) TERT
SCHEMBL17018807 0.72 KDM4E (0.38) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL10314954 0.70 TOP1 (0.43) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL8001501 0.69 TERT (0.37) TERT
SCHEMBL1410123 0.67 STAT3 (0.50) KDM4ECASP1CASP7HSD17B10L3MBTL1
SCHEMBL1410192 0.67 TERT (0.46) TERT

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-8217026-B2 Substituted porphyrins AEOLUS SCIENCES, INC. (US) 2012-07-10 — — US disclosed
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