SCHEMBL30468172

SCHEMBL30468172

O=C(O)c1cccc2nc3cccc(O)c3nc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
ACHE P22303 1/20 0.59
KMT2A Q03164 3/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 2/20 0.51
ALOX12 P18054 1/20 0.51
NQO2 P16083 1/20 0.50
KDM4E B2RXH2 4/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
HMGB1 P09429 1/20 0.48
HPGD P15428 1/20 0.48
CA4 P22748 1/20 0.48

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
SCHEMBL3724658 1.00 ALDH1A1 (0.71) ALDH1A1ACHEKMT2ARAB9AMAPT
SCHEMBL3193693 0.95 ALDH1A1 (0.73) ALDH1A1ACHEKMT2ARAB9AMAPT
SCHEMBL16432203 0.86 ALDH1A1 (0.67) ALDH1A1ACHEKMT2ARAB9AMAPT
SCHEMBL30548734 0.85 ALDH1A1 (0.88) ALDH1A1ACHEKMT2ARAB9AMAPT
SCHEMBL68995 0.85 ALDH1A1 (0.88) ALDH1A1ACHEKMT2ARAB9AMAPT
SCHEMBL5886240 0.84 ALDH1A1 (0.59) ALDH1A1ACHEKMT2ARAB9AMAPT
SCHEMBL29337446 0.84 ALDH1A1 (0.74) ALDH1A1ACHEKMT2ARAB9AMAPT
SCHEMBL28274572 0.84 ACHE (0.57) ALDH1A1ACHEKMT2ARAB9AMAPT
Phenazine-1-Carboxylic Acid SCHEMBL29370801 0.83 ALDH1A1 (1.00) ALDH1A1KMT2ARAB9AMAPTGAA
Phenazine-1-Carboxylic Acid SCHEMBL122864 0.83 ALDH1A1 (1.00) ALDH1A1KMT2ARAB9AMAPTGAA

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
CN-116478897-A Genetically engineered bacterium for producing phenazine hydroxylation derivative and construction method thereof 上海交通大学 2023-07-25 CN disclosed
CN-116478897-A Genetically engineered bacterium for producing phenazine hydroxylation derivative and construction method thereof 上海交通大学 2023-07-25 CN disclosed