SCHEMBL29337446

SCHEMBL29337446

O=C(O)c1cccc2nc3cc(O)c(O)cc3nc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
NQO2 P16083 1/20 0.49
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
ACHE P22303 1/20 0.47
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 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
SCHEMBL30548734 0.87 ALDH1A1 (0.88) ALDH1A1MAPTKMT2ARAB9ANPSR1
SCHEMBL68995 0.87 ALDH1A1 (0.88) ALDH1A1MAPTKMT2ARAB9ANPSR1
SCHEMBL3193693 0.86 ALDH1A1 (0.73) ALDH1A1NQO2MAPTKMT2ARAB9A
Phenazine-1-Carboxylic Acid SCHEMBL28160016 0.85 ALDH1A1 (1.00) ALDH1A1NQO2MAPTKMT2ARAB9A
Phenazine-1-Carboxylic Acid SCHEMBL29370801 0.85 ALDH1A1 (1.00) ALDH1A1NQO2MAPTKMT2ARAB9A
Phenazine-1-Carboxylic Acid SCHEMBL122864 0.85 ALDH1A1 (1.00) ALDH1A1NQO2MAPTKMT2ARAB9A
Phenazine-1-Carboxylic Acid SCHEMBL27884214 0.85 ALDH1A1 (1.00) ALDH1A1NQO2MAPTKMT2ARAB9A
SCHEMBL29337448 0.85 ALDH1A1 (0.73) ALDH1A1NQO2MAPTKMT2ARAB9A
SCHEMBL29337447 0.85 ALDH1A1 (0.73) ALDH1A1NQO2MAPTKMT2ARAB9A
SCHEMBL9771544 0.85 ALDH1A1 (0.72) ALDH1A1NQO2MAPTKMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240243319-A1 AQUEOUS ELECTROLYTE, SALTS USED THEREIN, AND REDOX FLOW BATTERY USING SAID AQUEOUS ELECTROLYTE MITSUBISHI CHEMICAL CORPORATION (JP) 2024-07-18 US disclosed
US-20240243319-A1 AQUEOUS ELECTROLYTE, SALTS USED THEREIN, AND REDOX FLOW BATTERY USING SAID AQUEOUS ELECTROLYTE MITSUBISHI CHEMICAL CORPORATION (JP) 2024-07-18 US disclosed