SCHEMBL9727446

SCHEMBL9727446

O=C1CCCN1S(=O)(=O)c1ccccc1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
PTGS2 P35354 1/20 0.38
LMNA P02545 2/20 0.38
STAT3 P40763 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL9727395 0.99 KMT2A (0.42) MEN1KMT2ATSHRCYP3A4CYP2C9
SCHEMBL9727311 0.83 HTR6 (0.41) MEN1KMT2ATSHRGAALMNA
SCHEMBL9727442 0.74 LMNA (0.61) MEN1KMT2ATSHRGAALMNA
SCHEMBL10180538 0.73 PTGS2 (0.49) TSHRCYP3A4CYP2C9CYP2C19GAA
SCHEMBL10879279 0.72 GAA (0.50) MEN1KMT2ATSHRCYP3A4CYP2C9
SCHEMBL10877910 0.72 CHRM4 (0.53) MEN1KMT2ATSHRCYP3A4CYP2C9
SCHEMBL10884111 0.72 KMT2A (0.51) MEN1KMT2ATSHRCYP3A4CYP2C9
SCHEMBL10876708 0.72 CYP2C9 (0.49) MEN1KMT2ATSHRCYP3A4CYP2C9
SCHEMBL9727392 0.72 LMNA (0.59) MEN1KMT2ATSHRGAALMNA
SCHEMBL10179999 0.71 HSD11B1 (0.48) MEN1KMT2AGAAPTGS2ALDH1A1

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