SCHEMBL28202581

SCHEMBL28202581

C1=Cc2cc3cc(-c4ccccc4)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.CCCCCCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ SOAT1 P35610 3/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ FES P07332 1/20 0.33

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
SCHEMBL28148244 0.86 STAT3 (0.39) STAT3STAT1SOAT1CYP3A4CYP2D6
Benzene SCHEMBL28628071 0.85 STAT3 (0.52) STAT3STAT1PDPK1CDK1CDK2
SCHEMBL29827170 0.85 STAT3 (0.52) STAT3STAT1PDPK1CDK1CDK2
SCHEMBL473160 0.85 STAT3 (0.52) STAT3STAT1PDPK1CDK1CDK2
Hydrochloric Acid SCHEMBL28432951 0.84 STAT3 (0.51) STAT3STAT1PDPK1CDK1CDK2
SCHEMBL11566885 0.84 STAT3 (0.51) STAT3STAT1PDPK1CDK1CDK2
SCHEMBL30657449 0.84 STAT3 (0.51) STAT3STAT1PDPK1CDK1CDK2
SCHEMBL1275380 0.84 STAT3 (0.51) STAT3STAT1PDPK1CDK1CDK2
SCHEMBL11331093 0.84 STAT3 (0.51) STAT3STAT1PDPK1CDK1CDK2
SCHEMBL31314990 0.84 STAT3 (0.51) STAT3STAT1PDPK1CDK1CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107828066-A Porphyrin modified metal organic frame nano material of four sulfydryls and its production and use 山东师范大学 2018-03-23 — — CN disclosed
CN-107759803-A A kind of four sulfydryl porphyrin compounds and its production and use 山东师范大学 2018-03-06 — — CN disclosed
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