SCHEMBL17294235

SCHEMBL17294235

O=C(OCF)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
LMNA P02545 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 1/20 0.57
MAPT P10636 1/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
ATM Q13315 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
AGTR1 P30556 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 2/20 0.53
APP P05067 1/20 0.53

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
SCHEMBL28836186 0.86 L3MBTL1 (0.68) KMT2ALMNATDP1L3MBTL1ALDH1A1
SCHEMBL25009812 0.85 L3MBTL1 (0.76) KMT2ALMNATDP1L3MBTL1ALDH1A1
SCHEMBL30556174 0.85 L3MBTL1 (0.76) KMT2ALMNATDP1L3MBTL1ALDH1A1
SCHEMBL14741028 0.84 LMNA (0.66) KMT2ALMNATDP1L3MBTL1ALDH1A1
SCHEMBL17978281 0.84 KMT2A (0.66) KMT2ALMNATDP1L3MBTL1ALDH1A1
SCHEMBL15544944 0.83 L3MBTL1 (0.73) KMT2ALMNATDP1L3MBTL1ALDH1A1
Ethyl Nicotinate SCHEMBL8164637 0.82 L3MBTL1 (0.71) KMT2ALMNATDP1L3MBTL1ALDH1A1
SCHEMBL21243071 0.82 LMNA (0.82) KMT2ALMNATDP1L3MBTL1ALDH1A1
SCHEMBL837646 0.82 LMNA (0.64) KMT2ALMNATDP1L3MBTL1ALDH1A1
SCHEMBL25009811 0.82 L3MBTL1 (0.82) KMT2ALMNATDP1L3MBTL1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107298653-B A method of synthesis 4- trifluoromethyl nicotinic acid 江苏建农植物保护有限公司 2019-05-17 CN disclosed
EP-3148975-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
CN-105358151-A Compounds for treating spinal muscular atrophy HOFFMANN LA ROCHE 2016-02-24 CN disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
CN-101888999-B Pyridylmethyl-sulfonamide compounds BASF SE 2013-12-11 CN disclosed