SCHEMBL4736817

SCHEMBL4736817

O=C(CC1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1)ONNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CCR1 P32246 2/20 0.41
HSD11B1 P28845 1/20 0.40
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4741276 0.89 TSHR (0.41) HTTTSHRCCR1HSD11B1LMNA
SCHEMBL4740126 0.82 CCR1 (0.44) HTTTSHRCCR1LMNAPOLB
SCHEMBL4736814 0.79 TSHR (0.47) TSHRCCR1HSD11B1LMNAKMT2A
SCHEMBL4787140 0.79 POLB (0.51) CYP3A4ALDH1A1LMNAKMT2APOLB
SCHEMBL4741083 0.78 TSHR (0.58) TSHRALDH1A1CCR1HSD11B1LMNA
SCHEMBL4740463 0.77 TSHR (0.56) TSHRALDH1A1CCR1HSD11B1LMNA
SCHEMBL4736733 0.77 HSD11B1 (0.51) HTTTSHRALDH1A1HSD11B1LMNA
SCHEMBL4740080 0.77 GAA (0.47) HTTALDH1A1LMNAPOLBMAPT
Potassium Ion SCHEMBL4740462 0.76 TSHR (0.55) HTTTSHRALDH1A1CCR1HSD11B1
SCHEMBL4738255 0.76 TSHR (0.58) TSHRALDH1A1CCR1HSD11B1LMNA

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 claimed