SCHEMBL9727309

SCHEMBL9727309

O=C1CCCN1S(=O)(=O)c1ccc(C2CCCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.49
DRD3 P35462 1/20 0.49
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.45
STAT3 P40763 1/20 0.45
RAB9A P51151 1/20 0.45
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
AKR1C3 P42330 2/20 0.38
BRD4 O60885 1/20 0.38
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL9727392 0.88 LMNA (0.59) LMNAHTTSMN1; SMN2TSHRSTAT3
SCHEMBL9727442 0.87 LMNA (0.61) LMNAHTTSMN1; SMN2TSHRSTAT3
SCHEMBL22325098 0.76 LMNA (0.74) HTR6LMNAHTTSMN1; SMN2TSHR
SCHEMBL9727306 0.75 LMNA (0.41) LMNAHTTSMN1; SMN2TSHRSTAT3
SCHEMBL9727348 0.75 LMNA (0.55) HTR6DRD3LMNATP53AKR1C3
SCHEMBL7674995 0.72 SMN1; SMN2 (0.54) HTR6LMNASMN1; SMN2TSHRSTAT3
SCHEMBL16026452 0.72 LMNA (0.77) HTR6LMNAHTTSMN1; SMN2TSHR
SCHEMBL22324948 0.71 L3MBTL1 (0.52) SMN1; SMN2TP53
SCHEMBL10702282 0.70 MMP2 (0.64) TP53KMT2AAKR1C3GAAPKM
SCHEMBL7383735 0.70 MMP2 (0.64) LMNAHTTSMN1; SMN2TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US disclosed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
US-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 US disclosed
EP-0335758-A2 Derivatives of 1-arylsulfonyl-2-pyrolidinone, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1989-10-04 EP disclosed