SCHEMBL14413331

SCHEMBL14413331

NC(=O)N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2A P28223 4/20 0.43
HTR2C P28335 3/20 0.43
KCNH2 Q12809 3/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GAA P10253 1/20 0.41
EPHX2 P34913 2/20 0.41

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
SCHEMBL14413535 0.92 EPHX2 (0.47) MAPTKMT2AMEN1L3MBTL1CYP3A4
SCHEMBL4107931 0.88 MAPT (0.50) MAPTKMT2AL3MBTL1CYP3A4CYP2C19
SCHEMBL23245656 0.84 MAPT (0.46) MAPTKMT2AL3MBTL1CYP3A4CYP2C19
SCHEMBL21412280 0.84 MAPT (0.46) MAPTKMT2AL3MBTL1CYP3A4CYP2C19
SCHEMBL13873155 0.80 RORC (0.43) MAPTKMT2ALMNAGAAEPHX2
SCHEMBL21426006 0.80 MMP13 (0.49) KMT2AMEN1
SCHEMBL21426005 0.80 MMP13 (0.49) KMT2AMEN1
SCHEMBL20002563 0.80 EPHX2 (0.45) MAPTKMT2AMEN1L3MBTL1CYP3A4
SCHEMBL20002980 0.79 CYP2C19 (0.59) MAPTKMT2AL3MBTL1CYP3A4CYP2C19
SCHEMBL14305129 0.77 SPR (0.49) HTR2AHTR2CKCNH2LMNADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed