SCHEMBL29386040

SCHEMBL29386040

Nc1cccc(-c2cc3cc4nc(c(N)c5ccc([nH]5)c(N)c5nc(c(N)c2[nH]3)C=C5)C=C4)c1.[N]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ CDK4 P11802 2/20 0.34
▸ CCND1 P24385 2/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ PRMT1 Q99873 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GFER P55789 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PKM P14618 2/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CHEK1 O14757 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
SCHEMBL29385942 0.99 STAT3 (0.38) STAT3STAT1CDK4CCND1NPC1
SCHEMBL31121520 0.99 STAT3 (0.38) STAT3STAT1CDK4CCND1NPC1
SCHEMBL28025893 0.99 STAT3 (0.38) STAT3STAT1CDK4CCND1NPC1
SCHEMBL31121521 0.99 STAT3 (0.38) STAT3STAT1CDK4CCND1NPC1
SCHEMBL31121518 0.99 STAT3 (0.38) STAT3STAT1CDK4CCND1NPC1
SCHEMBL31121519 0.98 STAT3 (0.37) STAT3STAT1CDK4CCND1NPC1
SCHEMBL27899188 0.89 STAT3 (0.46) STAT3STAT1CDK4CCND1NPC1
SCHEMBL28187223 0.88 STAT3 (0.50) STAT3STAT1CDK4CCND1NPC1
SCHEMBL28188855 0.88 STAT3 (0.50) STAT3STAT1CDK4CCND1NPC1
SCHEMBL5011862 0.84 STAT3 (0.46) STAT3STAT1CDK4CCND1NPC1

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-110137516-B Iron-tin alloy loaded sulfur-nitrogen co-doped carbon electrocatalyst and preparation method thereof 华东师范大学 2022-02-11 — — CN disclosed
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