SCHEMBL5299485

SCHEMBL5299485

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
CHRNA7 P36544 3/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
MTOR P42345 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
NLRP3 Q96P20 1/20 0.35
GRIN2B Q13224 3/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 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
SCHEMBL5280752 0.92 KMO (0.39) PDGFRBPDGFRAALDH1A1SMN1; SMN2MAPT
SCHEMBL5281477 0.90 PDGFRB (0.43) PDGFRBPDGFRAALDH1A1SMN1; SMN2ATM
SCHEMBL5328339 0.88 KIF11 (0.42) ALDH1A1MAPTHSD17B10
SCHEMBL5282908 0.86 S1PR1 (0.41) PDGFRBPDGFRAALDH1A1SMN1; SMN2MAPT
SCHEMBL5298454 0.83 CYP1A2 (0.39) PDGFRBPDGFRAALDH1A1SMN1; SMN2MAPT
SCHEMBL5285137 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL4181661 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL5278083 0.80 ALDH1A1 (0.39) PDGFRBPDGFRACHRNA7ALDH1A1SMN1; SMN2
SCHEMBL5276956 0.79 MAPT (0.42) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL5280707 0.79 KMT2A (0.40) ALDH1A1MAPTGAA

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