SCHEMBL27902151

SCHEMBL27902151

CCC(=O)Oc1cc(CC)nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.39
NAMPT P43490 1/20 0.38
ALOX15 P16050 2/20 0.37
HIF1A Q16665 3/20 0.35
ESR1 P03372 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 3/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 3/20 0.33
ELANE P08246 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
KCNT1 Q5JUK3 1/20 0.32
MAPK14 Q16539 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL27532645 0.85 SMYD3 (0.39) SMYD3NAMPTALOX15SMN1; SMN2GAA
SCHEMBL28174741 0.81 SMN1; SMN2 (0.41) ALOX15HIF1AESR1SMN1; SMN2KMT2A
SCHEMBL27368413 0.76 HPGD (0.37) SMYD3NAMPTHPGD
SCHEMBL29284873 0.74 CA2 (0.34) ALOX15HIF1AESR1SMN1; SMN2KMT2A
SCHEMBL27554350 0.74 HPGD (0.34) SMYD3NAMPTHPGD
SCHEMBL27517113 0.73 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1POLB
SCHEMBL6265235 0.70 POLB (0.40) SMN1; SMN2KMT2AGAAALDH1A1POLB
SCHEMBL343503 0.69 GRN (0.53) SMYD3NAMPTKMT2AKCNT1POLB
SCHEMBL12646244 0.69 SMYD3 (0.51) SMYD3NAMPTKMT2AHPGDALDH1A1
SCHEMBL9199202 0.69 SMYD3 (0.51) SMYD3NAMPTSMN1; SMN2KMT2AKCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187894-A The preparation method of 1 methyl 3 ethyl 4 chlorine 5 pyrazole carboxylic acid ethyl ester 潍坊鑫诺化工有限公司 2016-12-07 CN claimed
CN-103556174-A Synthesis method of ethyl 4-chloro-1-methyl-3-ethyl-5-pyrazolylcarboxylate UNIV HARBIN SCIENCE & TECH 2014-02-05 CN claimed
CN-103508959-A Synthesis method of 1-methyl-3-ethyl-5-pyrazolyl ethyl carboxylate UNIV HARBIN SCIENCE & TECH 2014-01-15 CN claimed
CN-103102307-A Method for synthesizing tolfenpyrad UNIV HEILONGJIANG 2013-05-15 CN claimed
CN-106187894-A The preparation method of 1 methyl 3 ethyl 4 chlorine 5 pyrazole carboxylic acid ethyl ester 潍坊鑫诺化工有限公司 2016-12-07 CN disclosed
CN-103556174-A Synthesis method of ethyl 4-chloro-1-methyl-3-ethyl-5-pyrazolylcarboxylate UNIV HARBIN SCIENCE & TECH 2014-02-05 CN disclosed
CN-103508959-A Synthesis method of 1-methyl-3-ethyl-5-pyrazolyl ethyl carboxylate UNIV HARBIN SCIENCE & TECH 2014-01-15 CN disclosed
CN-103508959-A Synthesis method of 1-methyl-3-ethyl-5-pyrazolyl ethyl carboxylate UNIV HARBIN SCIENCE & TECH 2014-01-15 CN disclosed
CN-103508959-A Synthesis method of 1-methyl-3-ethyl-5-pyrazolyl ethyl carboxylate UNIV HARBIN SCIENCE & TECH 2014-01-15 CN disclosed
CN-103102307-A Method for synthesizing tolfenpyrad UNIV HEILONGJIANG 2013-05-15 CN disclosed