SCHEMBL5287033

SCHEMBL5287033

CCOC(=O)Oc1cnc(-c2ccc(F)c(OC)c2)nc1Oc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 5/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSPO P30536 1/20 0.39
GAA P10253 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CNR2 P34972 1/20 0.38
DHPS P49366 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 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
SCHEMBL5281504 0.89 MAPT (0.46) LMNAMAPTHTTALDH1A1NPSR1
SCHEMBL5289070 0.88 LMNA (0.49) LMNAMAPTHTTALDH1A1NPSR1
SCHEMBL5283873 0.87 MAPT (0.47) LMNAMAPTHTTALDH1A1NPSR1
SCHEMBL5110787 0.86 CYP1A2 (0.57) LMNAMAPTHTTALDH1A1NPSR1
SCHEMBL5296815 0.86 MAPT (0.48) LMNAMAPTHTTALDH1A1NPSR1
SCHEMBL5289551 0.86 MAPT (0.48) LMNAMAPTHTTALDH1A1NPSR1
SCHEMBL5280720 0.85 PDGFRB (0.42) HTTALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL5281477 0.81 PDGFRB (0.43) HTTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5114057 0.81 TDP1 (0.53) LMNAALDH1A1L3MBTL1CYP1A2CYP2C9
SCHEMBL5280054 0.81 MAPT (0.41) MAPTHTTALDH1A1NPSR1L3MBTL1

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