SCHEMBL31127544

SCHEMBL31127544

CC(C)(C)c1cc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc(C(C)(C)C)c1.[Ni+2]

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.58
▸ STAT1 P42224 1/20 0.58
▸ TERT O14746 5/20 0.37
▸ TOP1 P11387 4/20 0.34
▸ CYCS P99999 3/20 0.33
▸ ENPP2 Q13822 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ABCG2 Q9UNQ0 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
SCHEMBL31127548 1.00 STAT3 (0.58) STAT3STAT1TERTTOP1CYCS
SCHEMBL12987775 0.99 STAT3 (0.59) STAT3STAT1TERTTOP1CYCS
SCHEMBL4260277 0.96 STAT3 (0.56) STAT3STAT1TERTTOP1CYCS
SCHEMBL4261963 0.95 STAT3 (0.55) STAT3STAT1TERTTOP1CYCS
SCHEMBL227423 0.95 STAT3 (0.54) STAT3STAT1TERTTOP1CYCS
SCHEMBL30527240 0.91 STAT3 (0.67) STAT3STAT1TERTTOP1CYCS
SCHEMBL30527241 0.90 STAT3 (0.66) STAT3STAT1TERTTOP1CYCS
SCHEMBL28466363 0.89 STAT3 (0.52) STAT3STAT1TERTTOP1CYCS
SCHEMBL6505248 0.88 STAT3 (0.48) STAT3STAT1TERTTOP1CYCS
SCHEMBL12988416 0.85 STAT3 (0.46) STAT3STAT1TERTTOP1CYCS

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-12110418-B2 Conductive film of fused porphyrins polymer and method of forming a coated substrate LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LIST) (LU) 2024-10-08 — — US disclosed
Send feedback