SCHEMBL9689773

SCHEMBL9689773

O=C(CBr)c1ccc(NS(=O)(=O)CCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
PTPN1 P18031 2/20 0.49
GSK3B P49841 2/20 0.49
LMNA P02545 1/20 0.48
IDO1 P14902 1/20 0.47
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
ACLY P53396 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 1/20 0.43
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL894337 0.85 HPGD (0.56) HPGDLMNAIDO1MMP8MMP12
SCHEMBL9689747 0.83 HPGD (0.74) HPGDLMNAIDO1MMP8MMP12
SCHEMBL15622087 0.80 IDO1 (0.68) HPGDIDO1MMP8MMP12MMP13
SCHEMBL11673585 0.79 GSK3B (0.58) HPGDPTPN1GSK3BLMNAADRB2
SCHEMBL23275661 0.79 PTGES2 (0.57) HPGDIDO1MMP8MMP12MMP13
SCHEMBL9136792 0.77 HPGD (0.63) HPGDPTPN1GSK3BLMNATHRA
SCHEMBL7404753 0.77 THRA (0.62) HPGDPTPN1GSK3BLMNATHRA
SCHEMBL4293771 0.76 MCL1 (0.45) HPGDPTPN1ACLYPTGES2MCL1
SCHEMBL8632794 0.76 THRA (0.68) HPGDGSK3BLMNATHRA
SCHEMBL8794747 0.75 HTR6 (0.65) IDO1MMP8MMP12MMP13MMP1

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
US-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 US disclosed
US-4990509-A Sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1991-02-05 US disclosed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 US disclosed
EP-0242173-A1 Antiarrhythmic agents Pfizer Limited (GB) 1987-10-21 EP disclosed