SCHEMBL7100711

SCHEMBL7100711

CC(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
NR1H2 P55055 8/20 0.44
NR1H3 Q13133 8/20 0.44
MLYCD O95822 5/20 0.43
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AR P10275 1/20 0.39
RORA P35398 2/20 0.39
RORC P51449 2/20 0.39
RORB Q92753 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL9861396 0.82 PDE2A (0.34) SMN1; SMN2MLYCD
SCHEMBL5958755 0.82 PDE2A (0.34) SMN1; SMN2MLYCD
SCHEMBL9861579 0.82 PDE2A (0.44) MEN1TSHRMAPK1KMT2AHSD17B10
SCHEMBL7101194 0.78 SMN1; SMN2 (0.55) SMN1; SMN2NR1H2NR1H3MLYCDMEN1
SCHEMBL4609823 0.77 SMN1; SMN2 (0.48) SMN1; SMN2NR1H2NR1H3MLYCDMEN1
SCHEMBL24408946 0.77 PDE2A (0.53) NR1H2NR1H3MLYCDMEN1ALOX15
SCHEMBL7641269 0.76 RORC (0.46) MEN1ALOX15TSHRKMT2AHSD17B10
SCHEMBL30107708 0.76 RORC (0.46) MEN1ALOX15TSHRKMT2AHSD17B10
SCHEMBL13974436 0.76 SMN1; SMN2 (0.41) SMN1; SMN2NR1H2NR1H3MLYCDMEN1
SCHEMBL11371728 0.74 SMN1; SMN2 (0.46) SMN1; SMN2NR1H2NR1H3MLYCDMEN1

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