SCHEMBL30583769

SCHEMBL30583769

O=C(O)c1ccccc1-c1c2nc(c(-c3ccccc3C(=O)O)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.[Mn]

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.53
▸ STAT1 P42224 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ TOP1 P11387 3/20 0.41
▸ CYCS P99999 3/20 0.40
▸ MYC P01106 1/20 0.37
▸ SOS1 Q07889 1/20 0.36
▸ DHODH Q02127 4/20 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
SCHEMBL30583768 0.96 STAT3 (0.55) STAT3STAT1KDM4ERAB9APOLB
SCHEMBL29062206 0.96 STAT3 (0.55) STAT3STAT1KDM4ERAB9APOLB
SCHEMBL30583773 0.96 STAT3 (0.55) STAT3STAT1KDM4ERAB9APOLB
SCHEMBL1998702 0.95 STAT3 (0.56) STAT3STAT1KDM4ERAB9APOLB
SCHEMBL30136884 0.86 TOP1 (0.54) KDM4ERAB9APOLBTOP1CYCS
SCHEMBL935287 0.85 TOP1 (0.55) KDM4ERAB9APOLBTOP1CYCS
SCHEMBL29660266 0.85 TOP1 (0.55) KDM4ERAB9APOLBTOP1CYCS
SCHEMBL14936110 0.83 TOP1 (0.54) KDM4ERAB9APOLBTOP1CYCS
SCHEMBL30925043 0.83 TOP1 (0.54) KDM4ERAB9APOLBTOP1CYCS
SCHEMBL28482617 0.83 TOP1 (0.54) KDM4ERAB9APOLBTOP1CYCS

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-115501187-B Metalloporphyrin-based nanoparticle, preparation method and application 四川大学 2023-07-14 — — CN disclosed
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