SCHEMBL29403163

SCHEMBL29403163

O=[N+]([O-])c1ccc(-c2c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc([N+](=O)[O-])cc4)c4nc(c(-c5ccc(O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cu]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.53
▸ TOP1 P11387 4/20 0.52
▸ CYCS P99999 3/20 0.51
▸ NPBWR1 P48145 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ TERT O14746 3/20 0.43
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL29400418 0.99 ENPP2 (0.55) ENPP2TOP1CYCSNPBWR1ABCG2
SCHEMBL28796561 0.99 ENPP2 (0.55) ENPP2TOP1CYCSNPBWR1ABCG2
SCHEMBL29402717 0.97 ENPP2 (0.53) ENPP2TOP1CYCSNPBWR1ABCG2
SCHEMBL28566539 0.94 TOP1 (0.52) ENPP2TOP1CYCSNPBWR1MMP2
SCHEMBL11327076 0.92 ENPP2 (0.57) ENPP2TOP1CYCSABCG2TERT
SCHEMBL29405657 0.92 ENPP2 (0.57) ENPP2TOP1CYCSABCG2TERT
SCHEMBL13249184 0.90 CYCS (0.56) ENPP2TOP1CYCSNPBWR1ABCG2
SCHEMBL30201625 0.90 ENPP2 (0.56) ENPP2TOP1CYCSABCG2TERT
SCHEMBL21043930 0.89 ENPP2 (0.55) ENPP2TOP1CYCSABCG2TERT
SCHEMBL31154457 0.86 TOP1 (0.55) ENPP2TOP1CYCSNPBWR1TERT

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-111617644-B Preparation method of monolithic polyaryletherketone bipolar membrane with side chain containing porphyrin water dissociation catalytic group 福建师范大学 2022-03-15 — — CN disclosed
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