SCHEMBL4740404

SCHEMBL4740404

Cc1ccc(S(=O)(=O)N2CCCC(CC(=O)NNc3ccc(Cl)cc3Cl)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.46
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DPP4 P27487 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL4740123 0.84 CCR1 (0.47) HTTALDH1A1POLBKMT2ANPSR1
SCHEMBL4741274 0.83 TSHR (0.45) MAPTHTTPOLBSMN1; SMN2LMNA
SCHEMBL4740908 0.81 P2RX7 (0.49) MAPTHTTGAALMNANPSR1
SCHEMBL4740406 0.78 ALDH1A1 (0.44) HTTALDH1A1POLBGAALMNA
SCHEMBL4741708 0.78 ALDH1A1 (0.56) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL4739860 0.77 ALDH1A1 (0.55) ALDH1A1POLBGAASMN1; SMN2MEN1
SCHEMBL4740078 0.77 GAA (0.50) MAPTHTTALDH1A1GAASMN1; SMN2
SCHEMBL4736653 0.75 HSD11B1 (0.55) ALDH1A1POLBGAA
SCHEMBL4738964 0.75 POLB (0.51) MAPTHTTALDH1A1POLBGAA
SCHEMBL4736650 0.75 P2RX7 (0.53) ALDH1A1GAASMN1; SMN2LMNAMEN1

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