SCHEMBL9674812

SCHEMBL9674812

CCC(C(=O)O)c1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 20/20 0.67
▸ AKR1B10 O60218 1/20 0.52
▸ AKR1A1 P14550 1/20 0.52
▸ GLO1 Q04760 1/20 0.52

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
SCHEMBL9529254 0.89 AKR1B1 (0.68) AKR1B1AKR1B10AKR1A1GLO1
Methane SCHEMBL10422319 0.88 AKR1B1 (0.67) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL10422072 0.88 AKR1B1 (0.69) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL10584475 0.86 AKR1B1 (0.67) AKR1B1
SCHEMBL1589816 0.80 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL10585089 0.80 AKR1B1 (0.46) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9583905 0.79 AKR1B1 (0.66) AKR1B1
SCHEMBL10421958 0.78 AKR1B1 (0.69) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL10586477 0.77 AKR1B1 (0.70) AKR1B1
SCHEMBL1757491 0.74 PTGDR2 (0.73) AKR1B1AKR1B10AKR1A1GLO1

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
EP-0222576-B1 HETEROCYCLIC OXOPHTHALAZINYL ACETIC ACIDS PFIZER INC. (US) 1992-03-18 — — EP disclosed
US-4939140-A ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1990-07-03 — — US disclosed
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