SCHEMBL9871647

SCHEMBL9871647

O=C(O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2ncccc12

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 20/20 0.79
AKR1B10 O60218 1/20 0.61
AKR1A1 P14550 1/20 0.61
GLO1 Q04760 1/20 0.61

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
SCHEMBL9202242 0.93 AKR1B1 (0.79) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL362567 0.89 AKR1B1 (0.71) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9871941 0.89 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL1589816 0.88 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9872753 0.86 AKR1B1 (0.87) AKR1B1
SCHEMBL19747022 0.83 AKR1B1 (0.80) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9324060 0.83 AKR1B1 (0.80) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9204262 0.81 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9201252 0.79 AKR1B1 (1.00) AKR1B1
SCHEMBL9870702 0.79 AKR1B1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996204-A Antidiabetic agents PFIZER INC. (US) 1991-02-26 US disclosed