Sugi Predict

Sugi Predict / Compounds / SCHEMBL30022904

SCHEMBL30022904

SCHEMBL30022904

O=Cc1ccc(-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

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.80
▸ TOP1 P11387 4/20 0.51
▸ CYCS P99999 3/20 0.50
▸ TERT O14746 5/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29368142 0.90 ENPP2 (0.97) ENPP2TOP1CYCSTERTABCG2
SCHEMBL218702 0.90 ENPP2 (0.97) ENPP2TOP1CYCSTERTABCG2
Tetraphenylporphine Tetrasulfonic Acid SCHEMBL20456165 0.89 ENPP2 (1.00) ENPP2TOP1CYCSTERTABCG2
SCHEMBL6139703 0.89 ENPP2 (0.94) ENPP2TOP1CYCSTERTABCG2
Hydrochloric Acid SCHEMBL3896512 0.89 ENPP2 (0.94) ENPP2TOP1CYCSTERTABCG2
Water SCHEMBL23522817 0.89 ENPP2 (0.94) ENPP2TOP1CYCSTERTABCG2
Ammonia Solution, Strong SCHEMBL3001889 0.89 ENPP2 (0.94) ENPP2TOP1CYCSTERTABCG2
SCHEMBL15004676 0.89 ENPP2 (0.94) ENPP2TOP1CYCSTERTABCG2
SCHEMBL17768419 0.89 ENPP2 (0.94) ENPP2TOP1CYCSTERTABCG2
Water SCHEMBL9870167 0.89 ENPP2 (0.94) 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
CN-113440625-B Manganese (III) porphyrin pentamer contrast agent applied to magnetic resonance imaging and application thereof 浙江大学城市学院 2022-08-23 — — CN disclosed
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