SCHEMBL9724671

SCHEMBL9724671

O=S(=O)(c1ccc(N2CCCCC2)cc1)N1CC(O)CC1=S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
MAPT P10636 5/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD11B1 P28845 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKR1C3 P42330 2/20 0.37

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
SCHEMBL9582350 0.85 TP53 (0.46) TP53MAPTLMNAMAPK1HTT
SCHEMBL9582482 0.85 TP53 (0.46) TP53MAPTLMNAMAPK1HTT
SCHEMBL9797567 0.77 TP53 (0.51) TP53MAPTLMNAMAPK1HTT
SCHEMBL9797671 0.77 TP53 (0.51) TP53MAPTLMNAMAPK1HTT
SCHEMBL9797786 0.77 TP53 (0.51) TP53MAPTLMNAMAPK1HTT
SCHEMBL9797149 0.77 TP53 (0.51) TP53MAPTLMNAMAPK1HTT
SCHEMBL9582408 0.74 AKR1C3 (0.56) MAPTLMNAHTTALDH1A1USP2
SCHEMBL10445165 0.70 USP2 (0.77) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL9354611 0.69 AKR1C3 (0.52) TP53MAPTLMNAMAPK1HTT
SCHEMBL9727563 0.69 AKR1C3 (0.56) TP53MAPTLMNAMAPK1HTT

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
JP-4321666-A None JP disclosed
JP-H04321666-A 1-ARYLSULFONYL-2-PYRROLIDONE DERIVATIVE, ITS PRODUCTION, OBTAINED NEW INTERMEDIATE, THEIR USE AS PHARMACEUTICAL PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ROUSSEL UCLAF 1992-11-11 JP disclosed