SCHEMBL9727673

SCHEMBL9727673

CCCCN(CCCC)c1ccccc1S(=O)(=O)N1CCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.39
TP53 P04637 3/20 0.38
CRHBP P24387 1/20 0.35
MAPK1 P28482 1/20 0.35
CRHR2 Q13324 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ATM Q13315 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL10594508 0.93 KMT2A (0.44) KMT2AMEN1GAATP53CRHBP
SCHEMBL9727641 0.78 KMT2A (0.47) KMT2AMEN1GAATP53CRHBP
SCHEMBL9727670 0.78 TP53 (0.41) KMT2AMEN1GAATP53MAPK1
SCHEMBL9799573 0.69 TP53 (0.46) KMT2AMEN1GAATP53
SCHEMBL11845023 0.69 HTR6 (0.58) KMT2ATDP1
SCHEMBL10879279 0.68 GAA (0.50) KMT2AMEN1GAACRHBPCRHR2
SCHEMBL9724223 0.67 CA12 (0.44) TP53MAPK1CYP3A4TSHRTDP1
SCHEMBL7153352 0.66 TDP1 (0.44) KMT2AMEN1GAATP53MAPK1
SCHEMBL7380549 0.66 PKM (0.62) KMT2AMEN1GAATP53CYP3A4
SCHEMBL9727395 0.66 KMT2A (0.42) KMT2AMEN1GAATP53CYP3A4

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