SCHEMBL12669934

SCHEMBL12669934

O=Nc1ccc(Oc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(Oc6ccc(N=O)cc6)cc5)c5nc(cc6ccc3[nH]6)C=C5)C=C4)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ TOP1 P11387 4/20 0.38
▸ CYCS P99999 4/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ TERT O14746 2/20 0.33
▸ HPSE Q9Y251 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CHEK2 O96017 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
SCHEMBL1863470 0.84 STAT3 (0.59) STAT3STAT1TOP1CYCSENPP2
SCHEMBL1861247 0.82 STAT1 (0.53) STAT3STAT1TOP1ENPP2CYP3A4
SCHEMBL12633142 0.81 STAT3 (0.55) STAT3STAT1TOP1CYCSENPP2
SCHEMBL4266558 0.80 STAT3 (0.63) STAT3STAT1TOP1CYCSENPP2
SCHEMBL3557943 0.79 STAT3 (0.68) STAT3STAT1TOP1CYCSENPP2
SCHEMBL9590030 0.78 STAT3 (0.60) STAT3STAT1TOP1CYCSENPP2
SCHEMBL8996959 0.77 STAT3 (0.59) STAT3STAT1TOP1CYCSENPP2
SCHEMBL12448930 0.77 STAT3 (0.56) STAT3STAT1TOP1CYCSENPP2
SCHEMBL27252011 0.77 TOP1 (0.59) TOP1CYCSENPP2ABCG2TERT
SCHEMBL8689820 0.76 STAT3 (0.68) STAT3STAT1TOP1CYCSENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 — — US disclosed
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 — — US disclosed
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