SCHEMBL5012953

SCHEMBL5012953

CN(c1ccccc1)c1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(N(C)c5ccccc5)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.70
▸ STAT1 P42224 1/20 0.70
▸ TOP1 P11387 4/20 0.48
▸ CHEK2 O96017 1/20 0.41
▸ CYCS P99999 3/20 0.39
▸ TERT O14746 4/20 0.38
▸ ITK Q08881 1/20 0.37
▸ NOX1 Q9Y5S8 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ KDR P35968 1/20 0.32

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
SCHEMBL5015306 0.90 STAT3 (0.73) STAT3STAT1TOP1CYCSTERT
SCHEMBL5013664 0.90 STAT3 (0.66) STAT3STAT1TOP1CYCSTERT
SCHEMBL5136111 0.89 STAT3 (0.65) STAT3STAT1TOP1CYCSTERT
SCHEMBL10100911 0.87 STAT3 (0.64) STAT3STAT1TOP1CYCSTERT
SCHEMBL2563180 0.87 STAT3 (0.91) STAT3STAT1TOP1CYCSTERT
SCHEMBL31127547 0.85 STAT3 (0.89) STAT3STAT1TOP1CYCSTERT
SCHEMBL29459724 0.85 STAT3 (0.89) STAT3STAT1TOP1CYCSTERT
SCHEMBL30574152 0.85 STAT3 (0.89) STAT3STAT1TOP1CYCSTERT
SCHEMBL31127545 0.85 STAT3 (0.89) STAT3STAT1TOP1CYCSTERT
SCHEMBL30608144 0.85 STAT3 (0.89) STAT3STAT1TOP1CYCSTERT

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-7417142-B2 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, INC. (US) 2008-08-26 — — US disclosed
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