SCHEMBL11327345

SCHEMBL11327345

C1=Cc2cc3[nH]c(c(-c4ccncc4)c4nc(cc5ccc(cc1n2)[nH]5)C=C4)c(-c1ccncc1)c3-c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ TOP1 P11387 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ RHEB Q15382 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MAPK13 O15264 2/20 0.31
▸ MAPK12 P53778 2/20 0.31
▸ MAPK11 Q15759 2/20 0.31
▸ MAPK14 Q16539 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GCGR P47871 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
SCHEMBL1224493 0.88 STAT3 (0.63) STAT3STAT1TOP1KDM4EALDH1A1
SCHEMBL5470455 0.85 STAT3 (0.66) STAT3STAT1TOP1KDM4EALDH1A1
SCHEMBL14445605 0.82 STAT3 (0.69) STAT3STAT1TOP1KDM4EALDH1A1
SCHEMBL3454040 0.82 STAT3 (0.33) STAT3STAT1MAPK13MAPK12MAPK11
SCHEMBL3454594 0.81 STAT3 (0.33) STAT3STAT1
SCHEMBL9582639 0.80 STAT3 (0.66) STAT3STAT1TOP1
Acetic Acid SCHEMBL9582114 0.78 STAT3 (0.60) STAT3STAT1TOP1KDM4EALDH1A1
SCHEMBL27740894 0.77 STAT3 (0.39) STAT3STAT1TOP1KDM4EALDH1A1
SCHEMBL4258776 0.75 STAT3 (0.43) STAT3STAT1
SCHEMBL3454048 0.73 STAT3 (0.40) STAT3STAT1TOP1

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-4256597-A DETERGENT AND PHOTOINITIATOR COMPRISING A PORPHINE OR MONO, DI, OR TRIAZO PORPHINE, OR PHTHALOCYANINE COMPOUND; WATER SOLUBILITY; STAIN REMOVAL THE PROCTER & GAMBLE COMPANY (US) 1981-03-17 — — US disclosed
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