SCHEMBL10895278

SCHEMBL10895278

O=C(O)CCCCCCc1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4nc(c(-c5ccc(S(=O)(=O)O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.63
▸ TOP1 P11387 4/20 0.47
▸ CYCS P99999 4/20 0.46
▸ S1PR1 P21453 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TERT O14746 4/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL10895316 0.99 ENPP2 (0.65) ENPP2TOP1CYCSS1PR1MAPT
SCHEMBL10729258 0.99 ENPP2 (0.65) ENPP2TOP1CYCSS1PR1MAPT
Bicarbonate SCHEMBL10724119 0.88 ENPP2 (0.63) ENPP2TOP1CYCSMAPTTERT
SCHEMBL10897459 0.87 TOP1 (0.53) ENPP2TOP1CYCSS1PR1MAPT
SCHEMBL16336184 0.82 ENPP2 (0.94) ENPP2TOP1CYCSTERTABCG2
SCHEMBL15004676 0.82 ENPP2 (0.94) ENPP2TOP1CYCSTERTABCG2
SCHEMBL10895293 0.81 ENPP2 (0.51) ENPP2TOP1CYCSTERTABCG2
SCHEMBL15006289 0.80 ENPP2 (0.91) ENPP2TOP1CYCSTERTABCG2
SCHEMBL29368142 0.80 ENPP2 (0.97) ENPP2TOP1CYCSTERTABCG2
SCHEMBL218702 0.80 ENPP2 (0.97) ENPP2TOP1CYCSTERTABCG2

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-4614723-A Porphyrin derivatives as fluorescent markers for immunoassays HOFFMANN-LA ROCHE INC. (US) 1986-09-30 — — US disclosed
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