SCHEMBL11873978

SCHEMBL11873978

N#Cc1ccc(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.60
▸ STAT1 P42224 1/20 0.60
▸ RHEB Q15382 1/20 0.39
▸ TOP1 P11387 4/20 0.38
▸ CYCS P99999 3/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ CDK5 Q00535 2/20 0.36
▸ CDK5R1 Q15078 2/20 0.36
▸ TERT O14746 1/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL1650933 0.87 STAT3 (0.60) STAT3STAT1TOP1CYCSENPP2
SCHEMBL30205816 0.83 STAT3 (0.64) STAT3STAT1TOP1CYCSENPP2
SCHEMBL5015307 0.83 STAT3 (0.64) STAT3STAT1TOP1CYCSENPP2
SCHEMBL7259660 0.83 STAT3 (0.64) STAT3STAT1TOP1CYCSENPP2
SCHEMBL5319095 0.83 STAT3 (0.64) STAT3STAT1TOP1CYCSENPP2
SCHEMBL7258061 0.83 STAT3 (0.64) STAT3STAT1TOP1CYCSENPP2
SCHEMBL3352961 0.83 STAT3 (0.64) STAT3STAT1TOP1CYCSENPP2
SCHEMBL29403134 0.83 STAT3 (0.64) STAT3STAT1TOP1CYCSENPP2
SCHEMBL473158 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2
SCHEMBL30753635 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2

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-3935031-A PORPHYRIN COMPOUND NEW ENGLAND INSTITUTE, INC. (US) 1976-01-27 — — US disclosed
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