SCHEMBL10586477

SCHEMBL10586477

CCC(C(=O)O)c1nn(Cc2nc3cc(OC)cc(OC)c3s2)c(=O)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 20/20 0.70

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
SCHEMBL10422072 0.86 AKR1B1 (0.69) AKR1B1
SCHEMBL10423433 0.82 AKR1B1 (1.00) AKR1B1
SCHEMBL10584475 0.82 AKR1B1 (0.67) AKR1B1
SCHEMBL10423434 0.81 AKR1B1 (0.72) AKR1B1
SCHEMBL9583905 0.80 AKR1B1 (0.66) AKR1B1
SCHEMBL10421958 0.79 AKR1B1 (0.69) AKR1B1
SCHEMBL9674812 0.77 AKR1B1 (0.67) AKR1B1
SCHEMBL9529254 0.75 AKR1B1 (0.68) AKR1B1
Methane SCHEMBL10422319 0.75 AKR1B1 (0.67) AKR1B1
SCHEMBL10585089 0.68 AKR1B1 (0.46) AKR1B1

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
EP-0322153-A2 Heterocyclic oxophtalazinyl acetic acids PFIZER INC. (US) 1989-06-28 — — EP disclosed
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