SCHEMBL9574366

SCHEMBL9574366

COS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VCAM1 P19320 1/20 0.38
CYP3A4 P08684 1/20 0.37
TXNRD1 Q16881 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
POLB P06746 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9574298 0.87 TDP1 (0.39) TDP1TSHRSMN1; SMN2VCAM1CYP3A4
SCHEMBL10482176 0.79 TDP1 (0.58) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL10654745 0.79 KMT2A (0.49) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL9574404 0.73 VCAM1 (0.47) VCAM1MEN1KMT2AALDH1A1POLB
SCHEMBL1317710 0.73 KMT2A (0.63) TDP1MEN1KMT2AALDH1A1F2
SCHEMBL29508624 0.73 KMT2A (0.63) TDP1MEN1KMT2AALDH1A1F2
SCHEMBL11817089 0.72 ALDH1A1 (0.52) TDP1TSHRSMN1; SMN2VCAM1CYP3A4
SCHEMBL9719281 0.70 TDP1 (0.71) TDP1TSHRSMN1; SMN2CYP3A4ALDH1A1
SCHEMBL30503599 0.70 TDP1 (0.71) TDP1TSHRSMN1; SMN2CYP3A4ALDH1A1
SCHEMBL17747892 0.69 TDP1 (0.48) TDP1TSHRSMN1; SMN2VCAM1CYP3A4

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
EP-0310944-B1 BISOXETHYLSULFONYLMETHYL ANILINES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-13 EP claimed
EP-0310944-A2 Bisoxethylsulfonylmethyl anilines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-12 EP claimed
EP-0310944-B1 BISOXETHYLSULFONYLMETHYL ANILINES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-13 EP disclosed
EP-0310944-A2 Bisoxethylsulfonylmethyl anilines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-12 EP disclosed