SCHEMBL12633142

SCHEMBL12633142

C[N+](C)(C)c1ccc(Oc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(Oc6ccc([N+](C)(C)C)cc6)cc5)c5nc(cc6ccc3[nH]6)C=C5)C=C4)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ TERT O14746 4/20 0.36
▸ TOP1 P11387 4/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ CYCS P99999 4/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ HPSE Q9Y251 1/20 0.32

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) STAT3STAT1TERTTOP1ABCG2
SCHEMBL4266558 0.83 STAT3 (0.63) STAT3STAT1TERTTOP1ABCG2
SCHEMBL2340556 0.82 STAT3 (0.51) STAT3STAT1TERTTOP1ABCG2
SCHEMBL12669934 0.81 STAT3 (0.55) STAT3STAT1TERTTOP1ABCG2
SCHEMBL9590030 0.81 STAT3 (0.60) STAT3STAT1TERTTOP1ABCG2
SCHEMBL8996959 0.80 STAT3 (0.59) STAT3STAT1TERTTOP1ABCG2
SCHEMBL1861247 0.80 STAT1 (0.53) STAT3STAT1TOP1ENPP2
Exeporfinium SCHEMBL585997 0.79 STAT3 (0.52) STAT3STAT1TERTTOP1ABCG2
SCHEMBL8689820 0.79 STAT3 (0.68) STAT3STAT1TERTTOP1ABCG2
SCHEMBL8431348 0.78 STAT3 (0.54) STAT3STAT1TERTTOP1ABCG2

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 4 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-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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