SCHEMBL28137017

SCHEMBL28137017

CC(=O)c1cn(C)nc1C(F)(F)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 2/20 0.43
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 2/20 0.33
STING1 Q86WV6 1/20 0.32
NAMPT P43490 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
NTRK1 P04629 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL20448183 0.86 LMNA (0.46) POLBLMNAGAAALDH1A1STING1
SCHEMBL2903444 0.86 LMNA (0.46) POLBLMNAGAAKMT2ASTING1
SCHEMBL13936345 0.86 POLB (0.58) POLBLMNAGAAKMT2AALDH1A1
SCHEMBL19183312 0.85 LMNA (0.45) POLBLMNAGAASTING1NPC1
SCHEMBL29451179 0.85 LMNA (0.45) POLBLMNAGAASTING1NPC1
SCHEMBL12370359 0.84 POLB (0.47) POLBLMNAGAAKMT2AALDH1A1
SCHEMBL8785540 0.80 GAA (0.48) POLBLMNAGAAKMT2AALDH1A1
SCHEMBL2342441 0.76 GAA (0.47) POLBLMNAGAAALDH1A1STING1
SCHEMBL2347739 0.76 GAA (0.47) POLBLMNAGAAKMT2ASTING1
SCHEMBL2903445 0.76 GAA (0.41) POLBLMNAGAAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368055-B Preparation method of 3-fluoroalkyl-1-methylpyrazole-4-carboxylic acid 宿迁市科莱博生物化学有限公司 2021-04-16 CN disclosed
CN-106554311-B The preparation method of 3- fluoro-alkyl -1- methylpyrazole -4- carboxylic acid 常州市卜弋科研化工有限公司 2019-03-01 CN disclosed
CN-108368055-A The preparation method of 3- fluoro-alkyl -1- methylpyrazole -4- carboxylic acids 苏威氟有限公司 2018-08-03 CN disclosed
CN-106554311-A The preparation method of 3- fluoro-alkyl -1- methylpyrazole -4- carboxylic acids 常州市卜弋科研化工有限公司 2017-04-05 CN disclosed