SCHEMBL29409509

SCHEMBL29409509

CCN(CC)CC.N#Cc1c(C(F)(F)F)cc(O)nc1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 8/20 0.44
L3MBTL1 Q9Y468 6/20 0.44
HPGD P15428 6/20 0.44
GLA P06280 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
GAA P10253 5/20 0.38
BRCA1 P38398 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLQ O75417 3/20 0.37
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 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
SCHEMBL29189015 1.00 KDM4E (0.44) KDM4EALDH1A1L3MBTL1HPGDGLA
SCHEMBL29409507 1.00 KDM4E (0.44) KDM4EALDH1A1L3MBTL1HPGDGLA
SCHEMBL9017997 0.88 L3MBTL1 (0.42) KDM4EALDH1A1L3MBTL1HPGDGLA
SCHEMBL29587722 0.88 L3MBTL1 (0.42) KDM4EALDH1A1L3MBTL1HPGDGLA
SCHEMBL28227176 0.76 KDM4E (0.54) KDM4EALDH1A1L3MBTL1HPGDMEN1
SCHEMBL29659072 0.75 L3MBTL1 (0.54) KDM4EALDH1A1L3MBTL1HPGDGLA
SCHEMBL1694970 0.75 L3MBTL1 (0.54) KDM4EALDH1A1L3MBTL1HPGDGLA
SCHEMBL31098796 0.73 KDM4E (0.39) KDM4EALDH1A1L3MBTL1HPGDGLA
SCHEMBL15110928 0.72 KDM4E (0.39) KDM4EALDH1A1L3MBTL1HPGDGLA
SCHEMBL4650747 0.68 KDM4E (0.36) KDM4EALDH1A1L3MBTL1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114149365-A Process control method for synthesizing 3-cyano-2, 6-dihydroxy-4-trifluoromethylpyridine triethylamine salt 江苏中旗科技股份有限公司 2022-03-08 CN claimed
CN-114149365-B Process control method for synthesizing 3-cyano-2, 6-dihydroxy-4-trifluoromethyl pyridine triethylamine salt 江苏中旗科技股份有限公司 2024-03-19 CN disclosed
CN-114149365-B Process control method for synthesizing 3-cyano-2, 6-dihydroxy-4-trifluoromethyl pyridine triethylamine salt 江苏中旗科技股份有限公司 2024-03-19 CN disclosed
CN-114149365-A Process control method for synthesizing 3-cyano-2, 6-dihydroxy-4-trifluoromethylpyridine triethylamine salt 江苏中旗科技股份有限公司 2022-03-08 CN disclosed
CN-114149365-A Process control method for synthesizing 3-cyano-2, 6-dihydroxy-4-trifluoromethylpyridine triethylamine salt 江苏中旗科技股份有限公司 2022-03-08 CN disclosed
CN-114149365-A Process control method for synthesizing 3-cyano-2, 6-dihydroxy-4-trifluoromethylpyridine triethylamine salt 江苏中旗科技股份有限公司 2022-03-08 CN disclosed