SCHEMBL5280707

SCHEMBL5280707

CCOC(=O)Oc1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
XPO1 O14980 3/20 0.38
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 2/20 0.36
ATF1 P18846 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAOB P27338 1/20 0.36
RXRA P19793 1/20 0.35

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
SCHEMBL5328339 0.81 KIF11 (0.42) KMT2AMEN1MAPTKDM4EHSP90AA1
SCHEMBL5126930 0.81 KDM4E (0.49) KMT2AMEN1MAPTKDM4EHSP90AA1
SCHEMBL5285137 0.79 ALDH1A1 (0.54) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL5299485 0.79 PDGFRB (0.38) MAPTGAAALDH1A1
SCHEMBL5282908 0.79 S1PR1 (0.41) KMT2AMAPTKDM4EGAAPOLB
SCHEMBL5280752 0.78 KMO (0.39) MAPTKDM4EALDH1A1
SCHEMBL5281477 0.76 PDGFRB (0.43) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL5298454 0.76 CYP1A2 (0.39) MAPTKDM4EPOLBALDH1A1
SCHEMBL5118532 0.73 ALDH1A1 (0.55) MAPTKDM4EXPO1POLBALDH1A1
SCHEMBL5276956 0.73 MAPT (0.42) KMT2AMEN1MAPTKDM4EPOLB

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