SCHEMBL9534320

SCHEMBL9534320

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
AKR1B1 P15121 4/20 0.49
MAPT P10636 7/20 0.48
AKR1A1 P14550 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 3/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL9535225 0.86 AKR1B1 (0.60) MEN1KMT2AAKR1B1MAPTAKR1A1
SCHEMBL10487846 0.84 AKR1B1 (0.57) MEN1KMT2AAKR1B1MAPTAKR1A1
SCHEMBL10487913 0.82 AKR1B1 (0.64) MEN1KMT2AAKR1B1MAPTAKR1A1
SCHEMBL10487889 0.81 AKR1B1 (0.52) MEN1KMT2AAKR1B1MAPTAKR1A1
SCHEMBL10487995 0.80 AKR1A1 (0.47) MEN1KMT2AAKR1B1MAPTAKR1A1
SCHEMBL9046143 0.80 AKR1A1 (0.59) MEN1KMT2AAKR1B1MAPTAKR1A1
SCHEMBL10487925 0.79 AKR1B1 (0.61) MEN1KMT2AAKR1B1MAPTAKR1A1
SCHEMBL9048154 0.79 ALDH1A1 (0.49) MEN1KMT2AAKR1B1MAPTAKR1A1
SCHEMBL10487808 0.79 AKR1B1 (0.60) MEN1KMT2AAKR1B1MAPTAKR1A1
SCHEMBL10487923 0.78 AKR1B1 (0.59) MEN1KMT2AAKR1B1MAPTAKR1A1

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