SCHEMBL4740145

SCHEMBL4740145

Cc1ccc(F)cc1S(=O)(=O)N1CCCC(CC(=O)NN2CCCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.49
CYP19A1 P11511 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
CNR1 P21554 1/20 0.47
MITF O75030 1/20 0.47
CNR2 P34972 4/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
TNF P01375 1/20 0.45
RAB9A P51151 1/20 0.45
NOD1 Q9Y239 1/20 0.45

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
SCHEMBL4787735 0.92 CYP19A1 (0.58) MAPTSMN1; SMN2MAPK1HTTTP53
SCHEMBL4785243 0.91 TP53 (0.48) MAPTSMN1; SMN2TP53CYP19A1CYP3A4
SCHEMBL4740746 0.88 CYP3A4 (0.50) MAPTSMN1; SMN2CYP19A1CYP3A4CYP2C19
SCHEMBL4736649 0.88 CYP3A4 (0.50) MAPTSMN1; SMN2CYP19A1CYP3A4CYP2C19
SCHEMBL4741112 0.86 EPHX2 (0.53) MAPTHTTTP53CYP19A1CYP3A4
SCHEMBL4740197 0.86 LMNA (0.50) MAPTTP53CYP19A1CYP3A4CYP2C19
SCHEMBL4737578 0.85 EPHX2 (0.49) SMN1; SMN2HTTCYP19A1CYP2C19ALDH1A1
SCHEMBL4740143 0.85 CYP3A4 (0.67) MAPTSMN1; SMN2HTTTP53CYP19A1
SCHEMBL4738918 0.85 CYP3A4 (0.67) MAPTSMN1; SMN2HTTTP53CYP19A1
SCHEMBL4739753 0.84 CYP3A4 (0.68) MAPTSMN1; SMN2HTTTP53CYP19A1

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-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed