SCHEMBL9797149

SCHEMBL9797149

O=S(=O)(c1ccc(N2CCCCC2)cc1)N1CCCCC1=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.44
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL9797671 1.00 TP53 (0.51) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL9797786 0.97 TP53 (0.51) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL9797567 0.97 TP53 (0.51) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL9354611 0.84 AKR1C3 (0.52) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL9351906 0.84 AKR1C3 (0.52) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL9350706 0.84 AKR1C3 (0.52) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL9797182 0.81 AKR1C3 (0.56) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL9727563 0.81 AKR1C3 (0.56) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL9724671 0.77 TP53 (0.45) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL10445165 0.76 USP2 (0.77) MAPTLMNASMN1; SMN2HTTUSP2

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-0384844-A2 1-Arylsulfonyl-pyrrolidine-2-thione or 1-arylsulfonyl-piperidine-2-thione derivatives, process for their preparation, their pharmaceutical use and compositions containing them ROUSSEL-UCLAF (FR) 1990-08-29 EP claimed
US-5037822-A Antispasmodic agent ROUSSEL-UCLAF (FR) 1991-08-06 US disclosed