SCHEMBL19670048

SCHEMBL19670048

C=Cc1ccc(-c2c3nc(c(C)c4ccc([nH]4)c(-c4ccc(N)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ TOP1 P11387 4/20 0.46
▸ TERT O14746 5/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ CYCS P99999 4/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ RPS6KA3 P51812 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
SCHEMBL14818489 0.92 STAT3 (0.56) STAT3STAT1TOP1TERTABCG2
SCHEMBL30372046 0.85 STAT3 (0.64) STAT3STAT1TOP1TERTABCG2
SCHEMBL10100940 0.85 STAT3 (0.64) STAT3STAT1TOP1TERTABCG2
SCHEMBL14601903 0.82 STAT3 (0.68) STAT3STAT1TOP1TERTABCG2
SCHEMBL29823978 0.81 STAT3 (0.62) STAT3STAT1TOP1TERTABCG2
SCHEMBL3995625 0.80 STAT3 (0.78) STAT3STAT1TOP1TERTCYCS
SCHEMBL7258061 0.80 STAT3 (0.64) STAT3STAT1TOP1TERTABCG2
SCHEMBL162069 0.80 STAT3 (0.53) STAT3STAT1TOP1TERTABCG2
SCHEMBL15631531 0.79 STAT3 (0.80) STAT3STAT1TOP1TERTABCG2
SCHEMBL27992764 0.79 STAT3 (0.63) STAT3STAT1TOP1TERTABCG2

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-9837611-B2 Photo-switchable fullerene-based materials as interfacial layers in organic photovoltaics BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-12-05 — — US disclosed
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