SCHEMBL9727442

SCHEMBL9727442

O=C1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
TSHR P16473 3/20 0.50
STAT3 P40763 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
THRB P10828 1/20 0.46
BRD4 O60885 1/20 0.45
AKR1C3 P42330 6/20 0.43
TP53 P04637 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
GAA P10253 1/20 0.42
TRIM24 O15164 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
SCHEMBL9727392 0.98 LMNA (0.59) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL9727309 0.87 HTR6 (0.49) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL9727306 0.81 LMNA (0.41) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL10702282 0.76 MMP2 (0.64) KMT2AAKR1C3TP53GAA
SCHEMBL7379601 0.76 MMP2 (0.64) LMNASMN1; SMN2MEN1KMT2AAKR1C3
SCHEMBL7383735 0.76 MMP2 (0.64) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7380549 0.76 PKM (0.62) LMNAMEN1KMT2AAKR1C3TP53
SCHEMBL9727563 0.76 AKR1C3 (0.56) LMNAHTTSMN1; SMN2AKR1C3TP53
SCHEMBL9797182 0.76 AKR1C3 (0.56) LMNAHTTSMN1; SMN2AKR1C3TP53
SCHEMBL9727446 0.74 MEN1 (0.41) LMNAHTTSMN1; SMN2TSHRSTAT3

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 3 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
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