SCHEMBL9870150

SCHEMBL9870150

CC(C)(C)CC(=O)Oc1nn(Cc2nc3cc(Br)ccc3o2)c(=O)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 18/20 0.54
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CETP P11597 1/20 0.31
CEPT1 Q9Y6K0 1/20 0.31

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
SCHEMBL9206818 0.90 AKR1B1 (0.57) AKR1B1MEN1KMT2ACETPCEPT1
SCHEMBL9872250 0.81 AKR1B1 (0.57) AKR1B1MEN1KMT2A
SCHEMBL9199051 0.79 AKR1B1 (0.78) AKR1B1MEN1KMT2A
SCHEMBL9870079 0.76 AKR1B1 (0.36) AKR1B1MEN1KMT2A
SCHEMBL9870990 0.75 AKR1B1 (0.62) AKR1B1MEN1KMT2A
SCHEMBL9872192 0.73 AKR1B1 (0.54) AKR1B1
SCHEMBL9870643 0.73 AKR1B1 (0.52) AKR1B1
SCHEMBL9871499 0.73 AKR1B1 (0.65) AKR1B1
SCHEMBL9870131 0.72 AKR1B1 (0.67) AKR1B1
SCHEMBL9204824 0.71 AKR1B1 (0.55) AKR1B1MEN1KMT2A

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