SCHEMBL5280752

SCHEMBL5280752

CCOC(=O)Oc1cnc(-c2ccc(C)c(F)c2)nc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
GRIN2B Q13224 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
DHODH Q02127 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ABL1 P00519 2/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL5299485 0.92 PDGFRB (0.38) GRIN2BPDGFRBPDGFRANPC1RAB9A
SCHEMBL5282908 0.90 S1PR1 (0.41) PDGFRBPDGFRANPC1RAB9ALMNA
SCHEMBL5278083 0.88 ALDH1A1 (0.39) KMOGRIN2BPDGFRBPDGFRANPC1
SCHEMBL5328339 0.87 KIF11 (0.42) HSD17B10ALDH1A1MAPTKDM4E
SCHEMBL5281477 0.87 PDGFRB (0.43) PDGFRBPDGFRANPC1HSD17B10SMN1; SMN2
SCHEMBL5298454 0.84 CYP1A2 (0.39) GRIN2BPDGFRBPDGFRANPC1RAB9A
SCHEMBL5276956 0.83 MAPT (0.42) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL5124459 0.81 ALDH1A1 (0.50) NPC1RAB9ALMNAHSD17B10DHODH
SCHEMBL5281504 0.81 MAPT (0.46) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL5285137 0.81 ALDH1A1 (0.54) NPC1RAB9ALMNAHSD17B10SMN1; SMN2

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