SCHEMBL9045528

SCHEMBL9045528

COc1ccc(S(=O)(=O)N(C)c2cccnc2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TP53 P04637 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LRRK2 Q5S007 1/20 0.45
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9049481 0.87 LMNA (0.55) KMT2AKDM4ELMNAALDH1A1MAPT
SCHEMBL9116444 0.80 PGR (0.56) KMT2AKDM4ELMNAALDH1A1MAPT
SCHEMBL9049128 0.80 SIRT2 (0.47) KMT2AHSD17B10KDM4ELMNAMAPT
SCHEMBL9047016 0.79 HSD17B10 (0.56) TP53KMT2AHSD17B10KDM4ELMNA
SCHEMBL8189741 0.77 MAPT (0.60) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL9049287 0.77 LMNA (0.53) KMT2AKDM4ELMNAALDH1A1MAPT
SCHEMBL9049557 0.77 LMNA (0.55) KMT2AKDM4ELMNAALDH1A1MAPT
SCHEMBL9053693 0.76 CYP11B1 (0.44) PDE4APDE4BPDE4CPDE4DCYP11B1
SCHEMBL9054120 0.76 SIRT2 (0.52) KMT2A
SCHEMBL9047335 0.75 KMT2A (0.54) KMT2AMEN1LMNASMN1; SMN2

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-0734378-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1996-10-02 EP disclosed
WO-1995016674-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1995-06-22 WO disclosed