SCHEMBL11326013

SCHEMBL11326013

C1=Cc2cc3cc(-c4nccs4)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.[Zn]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 1/20 0.40
▸ F2RL1 P55085 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ AR P10275 1/20 0.31
▸ PRKCZ Q05513 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL27479527 0.99 METAP1 (0.40) METAP1F2RL1STAT3STAT1PDPK1
SCHEMBL31229595 0.77 STAT3 (0.38) STAT3STAT1
SCHEMBL27755660 0.76 CYP3A4 (0.39) STAT3STAT1
SCHEMBL1409821 0.76 STAT3 (0.52) METAP1STAT3STAT1PDPK1HSP90AA1
SCHEMBL2962139 0.75 IDO1 (0.35) STAT3STAT1
SCHEMBL31309837 0.75 HPGD (0.40) STAT3STAT1RAB9A
SCHEMBL4885802 0.75 HPGD (0.40) STAT3STAT1RAB9A
SCHEMBL11569705 0.74 STAT3 (0.38) STAT3STAT1RAB9A
SCHEMBL31229735 0.74 STAT3 (0.38) STAT3STAT1
SCHEMBL31309810 0.74 HPGD (0.39) STAT3STAT1RAB9A

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
US-4256598-A DETERGENT AND PHOTOINITIATOR COMPRISING A SULFONATED PORPHINE OR MONO-, DI, OR TRIAZAPORPHINE OR A PHTHALOCYANINE COMPOUND; WATER SOLUBILITY THE PROCTER & GAMBLE COMPANY (US) 1981-03-17 — — US disclosed
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