SCHEMBL4247740

SCHEMBL4247740

Oc1c(F)c(F)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.45
TRPM4 Q8TD43 1/20 0.45
NQO2 P16083 1/20 0.43
CASP6 P55212 1/20 0.43
NQO1 P15559 1/20 0.42
HPRT1 P00492 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1B1 Q16678 2/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
LDHA P00338 1/20 0.38
MAPT P10636 1/20 0.38
MPI P34949 1/20 0.38

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
SCHEMBL17329209 0.84 CASP6 (0.48) PTPN22TRPM4NQO2CASP6NQO1
SCHEMBL631989 0.83 TRPM4 (0.56) PTPN22TRPM4NQO2CASP6NQO1
SCHEMBL29680396 0.83 TRPM4 (0.56) PTPN22TRPM4NQO2CASP6NQO1
SCHEMBL20563687 0.83 TRPM4 (0.45) PTPN22TRPM4NQO2CASP6NQO1
SCHEMBL1249585 0.79 HPRT1 (0.45) TRPM4NQO2HPRT1MEN1KMT2A
SCHEMBL30366616 0.79 HPRT1 (0.45) TRPM4NQO2HPRT1MEN1KMT2A
SCHEMBL11298208 0.79 PTPN22 (0.42) PTPN22TRPM4NQO2CASP6NQO1
SCHEMBL29344183 0.79 CYP1A2 (0.45) PTPN22TRPM4NQO2CASP6NQO1
SCHEMBL11298213 0.79 PTPN22 (0.42) PTPN22TRPM4NQO2CASP6NQO1
SCHEMBL9954118 0.78 ALOX5 (0.46) PTPN22TRPM4NQO2CASP6NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928044-B Preparation method of fluorophenylacetic acid 上海康鹏科技股份有限公司 2020-08-25 CN disclosed
JP-2009249367-A METHOD FOR PRODUCING 1,7,8-TRIFLUORO-2-NAPHTHOL DIC CORP 2009-10-29 JP disclosed