SCHEMBL9388917

SCHEMBL9388917

OCCc1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 2/20 0.42
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
CYP1A2 P05177 1/20 0.40
EPHX2 P34913 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCN9A Q15858 4/20 0.39
TKT P29401 1/20 0.39
TRPV3 Q8NET8 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2J2 P51589 1/20 0.38
KCNH2 Q12809 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
SCHEMBL22558708 0.90 L3MBTL1 (0.51) L3MBTL1POLBMAPK1MAPTCACNA1G
SCHEMBL30484228 0.86 L3MBTL1 (0.57) L3MBTL1POLBMAPK1MAPTCACNA1G
SCHEMBL9388169 0.86 L3MBTL1 (0.57) L3MBTL1POLBMAPK1MAPTCACNA1G
SCHEMBL2145798 0.83 L3MBTL1 (0.50) L3MBTL1POLBMAPK1MAPTCACNA1G
SCHEMBL21503629 0.83 L3MBTL1 (0.50) L3MBTL1POLBMAPK1MAPTCACNA1G
SCHEMBL20195263 0.83 L3MBTL1 (0.36) L3MBTL1MAPT
SCHEMBL30942648 0.81 CA2 (0.38) L3MBTL1MAPT
SCHEMBL22558739 0.80 L3MBTL1 (0.50) L3MBTL1POLBMAPK1MAPTCACNA1G
SCHEMBL3890599 0.79 L3MBTL1 (0.53) L3MBTL1POLBMAPK1MAPTCACNA1G
SCHEMBL12470245 0.79 L3MBTL1 (0.53) L3MBTL1POLBMAPK1MAPTCACNA1G

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-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed
WO-1994004527-A1 PYRIDYLETHOXY-, PYRIDYLETHYLAMINO-, AND PYRIDYLPROPYL-DERIVATIVES OF QUINOLINE AND QUINAZOLINE AS INSECTICIDES AND FUNGICIDES DOWELANCO (US) 1994-03-03 WO disclosed