SCHEMBL4740459

SCHEMBL4740459

O=C(CC1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1)NN1CCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 2/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP19A1 P11511 1/20 0.46
NPC1 O15118 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
ATAD2 Q6PL18 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
SCHEMBL4741097 1.00 ALDH1A1 (0.51) ALDH1A1MAPTTSHRL3MBTL1GAA
SCHEMBL4739879 0.92 RAB9A (0.58) ALDH1A1MAPTGAAPOLBSMN1; SMN2
SCHEMBL4740901 0.91 CYP19A1 (0.58) ALDH1A1MAPTTSHRL3MBTL1GAA
SCHEMBL4740383 0.88 SMN1; SMN2 (0.58) ALDH1A1TSHRL3MBTL1GAAPOLB
SCHEMBL4738964 0.88 POLB (0.51) ALDH1A1MAPTL3MBTL1GAAPOLB
SCHEMBL4740191 0.86 ALDH1A1 (0.55) ALDH1A1MAPTGAAPOLBSMN1; SMN2
SCHEMBL4740214 0.86 POLB (0.60) ALDH1A1TSHRL3MBTL1POLBMEN1
SCHEMBL4786793 0.86 CNR1 (0.47) ALDH1A1MAPTL3MBTL1POLBLMNA
SCHEMBL4739877 0.85 TSHR (0.50) TSHRL3MBTL1GAAPOLBMEN1
SCHEMBL4739899 0.84 AKR1C3 (0.60) MAPTTSHRGAASMN1; SMN2MEN1

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