SCHEMBL28275582

SCHEMBL28275582

CCOc1c(-c2ccccc2)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.46
▸ STAT1 P42224 1/20 0.46
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CBFB Q13951 2/20 0.34
▸ TTK P33981 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL28169160 0.87 STAT3 (0.42) STAT3STAT1MAPTNPC1ALDH1A1
SCHEMBL28087191 0.87 STAT3 (0.42) STAT3STAT1MAPTNPC1ALDH1A1
SCHEMBL1945085 0.86 STAT3 (0.49) STAT3STAT1MAPTNPC1ALDH1A1
SCHEMBL28059974 0.85 STAT3 (0.44) STAT3STAT1MAPTNPC1ALDH1A1
SCHEMBL28337483 0.85 STAT3 (0.48) STAT3STAT1MAPTNPC1ALDH1A1
SCHEMBL28250385 0.85 STAT3 (0.48) STAT3STAT1MAPTNPC1ALDH1A1
SCHEMBL31384871 0.85 STAT3 (0.48) STAT3STAT1MAPTNPC1ALDH1A1
SCHEMBL31384905 0.85 STAT3 (0.48) STAT3STAT1MAPTNPC1ALDH1A1
SCHEMBL10423762 0.85 STAT3 (0.48) STAT3STAT1MAPTNPC1ALDH1A1
SCHEMBL825276 0.84 STAT3 (0.43) STAT3STAT1MAPTNPC1ALDH1A1

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-109251271-A A kind of preparation method of temperature response type pectinate texture polycarboxylic acids 北京工业大学 2019-01-22 — — CN disclosed
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