SCHEMBL5249012

SCHEMBL5249012

CN(C)S(=O)(=O)c1ccc(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 2/20 0.55
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.52
TRPV4 Q9HBA0 1/20 0.51
GAA P10253 1/20 0.51
ATM Q13315 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL2515234 0.86 TSHR (0.65) SMN1; SMN2MAPTALDH1A1HTTHSD17B10
SCHEMBL34672 0.85 ALDH1A1 (0.66) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL5561006 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPTALDH1A1HTTLMNA
Lithium Ion SCHEMBL22638688 0.83 CA1 (0.61) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL2517845 0.83 MAPT (0.55) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL4639473 0.83 CA2 (0.59) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL6855109 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL65856 0.80 SMN1; SMN2 (0.64) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL13545219 0.80 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL3642059 0.80 CA12 (0.59) SMN1; SMN2MAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO disclosed