SCHEMBL9535225

SCHEMBL9535225

O=C(O)Cn1c(=O)c2cccnc2n(Cc2ccc(Br)cc2F)c1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.60
AKR1A1 P14550 1/20 0.60
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HSD17B10 Q99714 1/20 0.53
AKR1B10 O60218 1/20 0.46
TP53 P04637 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL9534320 0.86 MEN1 (0.60) AKR1B1AKR1A1MAPTMEN1KMT2A
SCHEMBL9537117 0.85 AKR1B1 (0.60) AKR1B1AKR1A1MEN1KMT2ACYP1A2
SCHEMBL9535268 0.84 AKR1B1 (0.59) AKR1B1AKR1A1MAPTMEN1KMT2A
SCHEMBL9535570 0.84 AKR1B1 (0.66) AKR1B1AKR1A1MEN1KMT2ACYP1A2
SCHEMBL10487918 0.82 AKR1B1 (0.76) AKR1B1AKR1A1MAPTMEN1KMT2A
SCHEMBL9534750 0.81 AKR1B1 (0.55) AKR1B1AKR1A1MAPTMEN1KMT2A
SCHEMBL10487878 0.79 AKR1B1 (0.86) AKR1B1AKR1A1MEN1KMT2ACYP1A2
SCHEMBL10488000 0.78 AKR1B1 (0.67) AKR1B1AKR1A1MAPTMEN1KMT2A
SCHEMBL9056716 0.77 AKR1B1 (0.78) AKR1B1AKR1A1MEN1KMT2ACYP1A2
SCHEMBL9319101 0.77 AKR1B1 (0.81) AKR1B1AKR1A1MEN1KMT2ACYP1A2

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 4 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 claimed
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 claimed
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