SCHEMBL9870869

SCHEMBL9870869

O=C(O)Cc1nn(Cc2ncc(Br)o2)c(=O)c2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 20/20 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
SCHEMBL9870079 0.76 AKR1B1 (0.36) AKR1B1
SCHEMBL9199051 0.72 AKR1B1 (0.78) AKR1B1
SCHEMBL9870061 0.71 AKR1B1 (0.77) AKR1B1
SCHEMBL9676510 0.71 AKR1B1 (0.74) AKR1B1
SCHEMBL9209333 0.71 KMT2A (0.58) AKR1B1
SCHEMBL9871647 0.68 AKR1B1 (0.79) AKR1B1
SCHEMBL9872753 0.68 AKR1B1 (0.87) AKR1B1
SCHEMBL9209897 0.67 AKR1B1 (0.85) AKR1B1
SCHEMBL9871941 0.66 AKR1B1 (1.00) AKR1B1
SCHEMBL9216689 0.65 KMT2A (0.72) 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
US-4996204-A Antidiabetic agents PFIZER INC. (US) 1991-02-26 US disclosed