SCHEMBL9535268

SCHEMBL9535268

Cc1cnc2c(c1)c(=O)n(CC(=O)O)c(=O)n2Cc1ccc(Br)cc1F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 9/20 0.59
AKR1A1 P14550 1/20 0.59
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
ALOX5AP P20292 1/20 0.41
MAPT P10636 1/20 0.41
AKR1B10 O60218 2/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL9537117 0.91 AKR1B1 (0.60) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL9535570 0.89 AKR1B1 (0.66) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL9534750 0.88 AKR1B1 (0.55) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL9535225 0.84 AKR1B1 (0.60) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL10487878 0.78 AKR1B1 (0.86) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL10487918 0.77 AKR1B1 (0.76) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL9056716 0.76 AKR1B1 (0.78) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL9319101 0.76 AKR1B1 (0.81) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL9534320 0.76 MEN1 (0.60) AKR1B1AKR1A1MEN1CYP1A2CYP2C9
SCHEMBL10487834 0.75 AKR1B1 (0.79) AKR1B1AKR1A1MEN1CYP1A2CYP2C9

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
EP-0568540-A1 2,4-DIOXO-PYRIDO 2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1993-11-10 EP disclosed
WO-1992012979-A1 2,4-DIOXO-PYRIDO [2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1992-08-06 WO disclosed