SCHEMBL21048461

SCHEMBL21048461

O=S(=O)(NCc1cccc(CNS(=O)(=O)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.81
CYP19A1 P11511 12/20 0.72
CA12 O43570 2/20 0.64
CA9 Q16790 2/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL407414 0.90 KEAP1 (1.00) KEAP1CA12CA9LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3516799 0.88 KEAP1 (0.96) KEAP1CA12CA9LMNASMN1; SMN2
SCHEMBL4662824 0.88 KEAP1 (0.69) KEAP1CYP19A1CA12CA9LMNA
SCHEMBL4662812 0.88 CYP19A1 (0.71) KEAP1CYP19A1CA12CA9LMNA
SCHEMBL4661682 0.88 CYP19A1 (0.71) KEAP1CYP19A1CA12CA9LMNA
SCHEMBL4661757 0.88 CYP19A1 (0.71) KEAP1CYP19A1CA12CA9LMNA
SCHEMBL14025561 0.86 KEAP1 (0.71) KEAP1CYP19A1CA12CA9LMNA
SCHEMBL1048486 0.85 AKR1C3 (0.66) KEAP1CYP19A1LMNASMN1; SMN2HDAC2
SCHEMBL13888909 0.84 KEAP1 (0.63) KEAP1CYP19A1CA12CA9LMNA
SCHEMBL6567375 0.84 CYP19A1 (0.74) KEAP1CYP19A1CA12CA9LMNA

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
EP-2417198-B1 POLYAMIDE MATERIAL HAVING HIGH FLUID BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2019-06-12 EP claimed
EP-2417198-B1 POLYAMIDE MATERIAL HAVING HIGH FLUID BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2019-06-12 EP disclosed