SCHEMBL30201625

SCHEMBL30201625

O=[N+]([O-])c1ccc(-c2c3nc(c(-c4ccc([N+](=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc([N+](=O)[O-])cc4)c4nc(c(-c5ccc([N+](=O)[O-])cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Fe+3]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.56
▸ TOP1 P11387 4/20 0.55
▸ CYCS P99999 3/20 0.54
▸ TERT O14746 4/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ MMP2 P08253 4/20 0.46
▸ MMP9 P14780 4/20 0.46
▸ MMP8 P22894 4/20 0.46
▸ MMP13 P45452 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ CYP19A1 P11511 1/20 0.42

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
SCHEMBL11327076 0.98 ENPP2 (0.57) ENPP2TOP1CYCSTERTABCG2
SCHEMBL29405657 0.98 ENPP2 (0.57) ENPP2TOP1CYCSTERTABCG2
SCHEMBL13249184 0.97 CYCS (0.56) ENPP2TOP1CYCSTERTABCG2
SCHEMBL21043930 0.95 ENPP2 (0.55) ENPP2TOP1CYCSTERTABCG2
SCHEMBL10587131 0.93 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL8355904 0.93 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL31154457 0.93 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL30556440 0.93 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL15134783 0.93 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2
SCHEMBL15134782 0.93 TOP1 (0.55) ENPP2TOP1CYCSTERTMMP2

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-113185702-B Porous organic polymer based on siloxane-metalloporphyrin, preparation method thereof and application thereof in pesticide detection 潍坊学院 2023-03-24 — — CN disclosed
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