SCHEMBL9872192

SCHEMBL9872192

CC(C)(C)CC(=O)Oc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 20/20 0.54
AKR1B10 O60218 1/20 0.44
AKR1A1 P14550 1/20 0.44
GLO1 Q04760 1/20 0.44

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
SCHEMBL9870702 0.94 AKR1B1 (0.54) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9870131 0.91 AKR1B1 (0.67) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9209763 0.89 AKR1B1 (0.57) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9871499 0.88 AKR1B1 (0.65) AKR1B1
SCHEMBL9870810 0.84 AKR1B1 (0.67) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9871583 0.82 AKR1B1 (0.61) AKR1B1
SCHEMBL9203063 0.80 AKR1B1 (0.71) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9202242 0.79 AKR1B1 (0.79) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9206592 0.77 AKR1B1 (0.70) AKR1B1
SCHEMBL9872250 0.76 AKR1B1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996204-A Antidiabetic agents PFIZER INC. (US) 1991-02-26 US disclosed
EP-0401981-A1 Pyridazinone deriratives PFIZER INC. (US) 1990-12-12 EP disclosed