SCHEMBL7019203

SCHEMBL7019203

Nc1ccccc1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.76
RORC P51449 3/20 0.71
P2RX1 P51575 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.55
FADS1 O60427 3/20 0.52
MLYCD O95822 3/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR1H3 Q13133 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL1963068 0.87 PTGS1 (1.00) PTGS1P2RX1SMN1; SMN2FADS1NPC1
SCHEMBL12334586 0.84 RORC (0.72) PTGS1RORCSMN1; SMN2MLYCDNPC1
SCHEMBL31078214 0.83 RORC (0.71) PTGS1RORCSMN1; SMN2MLYCDNPC1
SCHEMBL31078114 0.83 RORC (1.00) PTGS1RORCSMN1; SMN2MLYCDNPC1
SCHEMBL31078465 0.83 RORC (0.71) PTGS1RORCSMN1; SMN2MLYCDNPC1
SCHEMBL12334368 0.83 RORC (1.00) PTGS1RORCSMN1; SMN2MLYCDNPC1
SCHEMBL12334371 0.83 SMN1; SMN2 (0.76) PTGS1RORCSMN1; SMN2MLYCDNPC1
SCHEMBL31078101 0.83 SMN1; SMN2 (0.76) PTGS1RORCSMN1; SMN2MLYCDNPC1
SCHEMBL12334663 0.83 RORC (0.71) PTGS1RORCSMN1; SMN2MLYCDNPC1
SCHEMBL12334373 0.83 RORC (0.71) PTGS1RORCSMN1; SMN2MLYCDNPC1

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