SCHEMBL9658665

SCHEMBL9658665

C[S+]([O-])c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.54
BRD4 O60885 12/20 0.43
EP300 Q09472 1/20 0.41
CYP19A1 P11511 2/20 0.39
EPAS1 Q99814 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
PTGS1 P23219 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MLNR O43193 1/20 0.38
LMNA P02545 1/20 0.38
MMP1 P03956 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9656894 0.83 PTGS2 (0.58) PTGS2BRD4CYP19A1EPAS1PTGS1
SCHEMBL8107798 0.81 PTGS2 (0.56) PTGS2BRD4CYP19A1EPAS1PTGS1
SCHEMBL9657018 0.80 PTGS2 (0.58) PTGS2BRD4EP300CYP19A1EPAS1
SCHEMBL9658618 0.80 PTGS2 (0.58) PTGS2BRD4EP300CYP19A1EPAS1
SCHEMBL8524487 0.79 PTGS2 (0.59) PTGS2BRD4EP300EPAS1PTGS1
SCHEMBL9655254 0.78 PTGS2 (0.58) PTGS2BRD4EP300SLC22A12TBXA2R
SCHEMBL9656909 0.78 PTGS2 (0.56) PTGS2BRD4EP300CYP19A1EPAS1
SCHEMBL9657522 0.78 PTGS2 (0.56) PTGS2BRD4EP300CYP19A1EPAS1
SCHEMBL441676 0.77 PTGS2 (0.55) PTGS2BRD4EP300CYP1A2CYP3A4
SCHEMBL9656863 0.77 PTGS2 (0.57) PTGS2BRD4EP300SLC22A12TBXA2R

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-0273369-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-04 EP disclosed
US-4866091-A ANTINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US disclosed