SCHEMBL31384871

SCHEMBL31384871

COc1c(-c2ccccc2)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3.[Ni]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ TP53 P04637 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ PDE4B Q07343 4/20 0.36
▸ PDE4A P27815 3/20 0.36
▸ PDE4C Q08493 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ MEN1 O00255 2/20 0.36

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
SCHEMBL1945085 0.99 STAT3 (0.49) STAT3STAT1TP53KDM4ETSHR
SCHEMBL31384905 0.97 STAT3 (0.48) STAT3STAT1TP53KDM4ETSHR
SCHEMBL28337483 0.97 STAT3 (0.48) STAT3STAT1TP53KDM4ETSHR
SCHEMBL10423762 0.97 STAT3 (0.48) STAT3STAT1TP53KDM4ETSHR
SCHEMBL28250385 0.97 STAT3 (0.48) STAT3STAT1TP53KDM4ETSHR
SCHEMBL28275582 0.85 STAT3 (0.46) STAT3STAT1TP53KDM4ETSHR
SCHEMBL226837 0.84 STAT3 (0.59) STAT3STAT1TP53KDM4ETSHR
SCHEMBL14054511 0.83 STAT3 (0.57) STAT3STAT1TP53KDM4ETSHR
SCHEMBL6265476 0.83 STAT3 (0.57) STAT3STAT1TP53KDM4ETSHR
SCHEMBL31499126 0.81 STAT3 (0.52) STAT3STAT1TP53KDM4EALDH1A1

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
CN-119530876-A Composite catalyst, electrode carrying composite catalyst, and preparation method and application of electrode 中国石油化工股份有限公司 2025-02-28 — — CN disclosed
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