SCHEMBL6677249

SCHEMBL6677249

O=C(Nc1ccccc1)Nc1cc(F)ccc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.66
RAB9A P51151 6/20 0.66
HTT P42858 5/20 0.66
NPC1 O15118 4/20 0.66
GRIK1 P39086 3/20 0.59
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 5/20 0.55
MTOR P42345 1/20 0.55
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
S1PR2 O95136 1/20 0.52
S1PR4 O95977 1/20 0.52
XBP1 P17861 1/20 0.52
PAX8 Q06710 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
S1PR3 Q99500 1/20 0.52
S1PR5 Q9H228 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL7759976 0.84 MEN1 (0.68) SMN1; SMN2RAB9AHTTNPC1GRIK1
SCHEMBL28772738 0.81 KIF11 (0.48) SMN1; SMN2RAB9AHTTNPC1GRIK1
SCHEMBL9744243 0.80 GRIK1 (0.71) SMN1; SMN2RAB9AHTTNPC1GRIK1
SCHEMBL17609477 0.80 RAB9A (1.00) SMN1; SMN2RAB9AHTTNPC1MEN1
SCHEMBL5595167 0.78 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AHTTNPC1MEN1
SCHEMBL6823516 0.78 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AHTTNPC1MEN1
SCHEMBL11251374 0.78 MEN1 (0.57) SMN1; SMN2RAB9AHTTNPC1GRIK1
SCHEMBL20560306 0.78 ALOX15 (0.46) SMN1; SMN2RAB9AHTTGRIK1MEN1
SCHEMBL4117684 0.77 EPHX2 (0.55) SMN1; SMN2RAB9AHTTNPC1GRIK1
SCHEMBL6439621 0.77 GRIK1 (0.63) SMN1; SMN2RAB9AHTTNPC1GRIK1

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-1472233-A1 PYRIMIDINE COMPOUNDS SmithKline Beecham Corporation (US) 2004-11-03 EP claimed
WO-2003066601-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-14 WO claimed