SCHEMBL29587722

SCHEMBL29587722

N#Cc1c(C(F)(F)F)cc(O)nc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.42
KDM4E B2RXH2 14/20 0.40
ALDH1A1 P00352 11/20 0.40
HPGD P15428 7/20 0.40
GAA P10253 6/20 0.40
GLA P06280 5/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 5/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
AR P10275 1/20 0.37
KHK P50053 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRCA1 P38398 1/20 0.36

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
SCHEMBL9017997 1.00 L3MBTL1 (0.42) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL29189015 0.88 KDM4E (0.44) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL29409509 0.88 KDM4E (0.44) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL29409507 0.88 KDM4E (0.44) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL31098796 0.84 KDM4E (0.39) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL28227176 0.83 KDM4E (0.54) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL29659072 0.82 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL1694970 0.82 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL15110928 0.78 KDM4E (0.39) L3MBTL1KDM4EALDH1A1HPGDGAA
SCHEMBL28240790 0.75 TRPV4 (0.43) L3MBTL1KDM4EALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114487166-B Method for detecting content of 2, 6-dihydroxy-3-cyano-4-trifluoromethylpyridine 山东京博生物科技有限公司 2024-05-28 CN claimed
CN-114487166-A Method for detecting content of 2, 6-dihydroxy-3-cyano-4-trifluoromethylpyridine 山东京博生物科技有限公司 2022-05-13 CN claimed
CN-114487166-B Method for detecting content of 2, 6-dihydroxy-3-cyano-4-trifluoromethylpyridine 山东京博生物科技有限公司 2024-05-28 CN disclosed
CN-114487166-B Method for detecting content of 2, 6-dihydroxy-3-cyano-4-trifluoromethylpyridine 山东京博生物科技有限公司 2024-05-28 CN disclosed
CN-114487166-B Method for detecting content of 2, 6-dihydroxy-3-cyano-4-trifluoromethylpyridine 山东京博生物科技有限公司 2024-05-28 CN disclosed
CN-117756704-A Intermediate compound and preparation method thereof, and preparation method of 4-trifluoromethyl nicotinic acid and derivative thereof 帕潘纳(北京)科技有限公司 2024-03-26 CN disclosed
CN-117658902-A Method for preparing 4-trifluoromethyl nicotinic acid 内蒙古源宏精细化工有限公司 2024-03-08 CN disclosed
CN-113816901-B Synthesis method of 4-trifluoromethyl nicotinamide 淮北龙溪生物科技有限公司 2023-08-15 CN disclosed
CN-114487166-A Method for detecting content of 2, 6-dihydroxy-3-cyano-4-trifluoromethylpyridine 山东京博生物科技有限公司 2022-05-13 CN disclosed
CN-114487166-A Method for detecting content of 2, 6-dihydroxy-3-cyano-4-trifluoromethylpyridine 山东京博生物科技有限公司 2022-05-13 CN disclosed
CN-114487166-A Method for detecting content of 2, 6-dihydroxy-3-cyano-4-trifluoromethylpyridine 山东京博生物科技有限公司 2022-05-13 CN disclosed
CN-114455557-A Method for recovering phosphorus oxychloride in chlorination reaction of hydroxyl compound 江苏中旗科技股份有限公司 2022-05-10 CN disclosed