SCHEMBL19980189

SCHEMBL19980189

Cc1ncn(-c2nc(C(F)(F)F)ccc2C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.38
GAA P10253 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
PDE2A O00408 1/20 0.36
LMNA P02545 2/20 0.36
SORT1 Q99523 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MALT1 Q9UDY8 2/20 0.35
MAPT P10636 1/20 0.34
RBP4 P02753 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MYC P01106 1/20 0.34
SYK P43405 2/20 0.34

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
SCHEMBL19979874 0.77 POLB (0.43) F9GAAPDE2ALMNAMALT1
SCHEMBL19979894 0.76 KDM4E (0.40) GAATAS2R14LMNAMAPTHCRTR1
SCHEMBL1671670 0.73 HCRTR1 (0.50) TAS2R14HCRTR1HCRTR2
SCHEMBL148900 0.72 LMNA (0.55) GAATAS2R14LMNANPC1RAB9A
SCHEMBL30102436 0.72 LMNA (0.55) GAATAS2R14LMNANPC1RAB9A
SCHEMBL19980188 0.72 KDM4E (0.40) GAANPC1RAB9AMAPTSYK
SCHEMBL4480620 0.71 TAS2R14 (0.46) GAATAS2R14LMNANPC1RAB9A
SCHEMBL1474393 0.71 SCN10A (0.53) RBP4
SCHEMBL4088039 0.70 SCN10A (0.55)
SCHEMBL15293909 0.69 CYP17A1 (0.43) LMNANPC1RAB9AMAPT

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-2018050677-A1 HERBICIDAL PYRIDINES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed