SCHEMBL7102669

SCHEMBL7102669

Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
AR P10275 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR1H2 P55055 9/20 0.41
NR1H3 Q13133 9/20 0.41
RORC P51449 2/20 0.38
RORA P35398 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 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
SCHEMBL7101194 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MEN1MAPK1KMT2AAR
SCHEMBL4609823 0.82 SMN1; SMN2 (0.48) SMN1; SMN2MEN1MAPK1KMT2AAR
SCHEMBL5362613 0.80 CA1 (0.39) SMN1; SMN2ARHSD17B10CA12CA1
SCHEMBL29449219 0.79 ALDH1A1 (0.46) SMN1; SMN2MEN1MAPK1KMT2ATSHR
SCHEMBL40549 0.79 ALDH1A1 (0.46) SMN1; SMN2MEN1MAPK1KMT2ATSHR
SCHEMBL11371728 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MEN1MAPK1KMT2AAR
SCHEMBL13974786 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MEN1MAPK1KMT2AAR
SCHEMBL1820232 0.78 MAPT (0.42) SMN1; SMN2MEN1MAPK1KMT2AAR
Hydrochloric Acid SCHEMBL11772004 0.78 ALDH1A1 (0.44) SMN1; SMN2MEN1MAPK1KMT2ATSHR
SCHEMBL11245521 0.77 AR (0.46) SMN1; SMN2MEN1MAPK1KMT2AAR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed