SCHEMBL5281824

SCHEMBL5281824

O=C(O)Oc1cnc(-c2ccc(F)c(F)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
TSPO P30536 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGER4 P35408 1/20 0.39
CYP1A2 P05177 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSA P10619 1/20 0.37

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
SCHEMBL5277030 0.92 L3MBTL1 (0.43) LMNAL3MBTL1TSPOALDH1A1MAPT
SCHEMBL5289070 0.91 LMNA (0.49) LMNAL3MBTL1TSPOALDH1A1MAPT
SCHEMBL5285421 0.89 LMNA (0.41) LMNAL3MBTL1TSPOALDH1A1MAPT
SCHEMBL5287627 0.89 LMNA (0.47) LMNAL3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL5285487 0.86 ALDH1A1 (0.52) LMNAL3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL5298448 0.86 TP53 (0.47) LMNAL3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL5277422 0.86 L3MBTL1 (0.46) LMNAL3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL5125877 0.86 TDP1 (0.56) L3MBTL1ALDH1A1MAPTNPSR1HTT
SCHEMBL5298239 0.83 LMNA (0.51) LMNAL3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL5289303 0.82 L3MBTL1 (0.45) LMNAL3MBTL1TSPOALDH1A1CYP1A2

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-1866289-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-12-19 EP disclosed
WO-2006097220-A1 PYRIMIDINE CARBOXYLIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-09-21 WO disclosed