SCHEMBL9657014

SCHEMBL9657014

CC(=O)c1ccc(NS(C)(=O)=O)c(Oc2ccc(F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 2/20 0.51
PTGS1 P23219 5/20 0.45
PTGS2 P35354 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
CYP19A1 P11511 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
MLNR O43193 1/20 0.45
MMP1 P03956 1/20 0.45
MPO P05164 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL9658627 0.87 PTGS1 (0.56) MRGPRX1PTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL9657535 0.87 PTGS1 (0.60) PTGS1PTGS2SMN1; SMN2HPGDMAPT
SCHEMBL29748830 0.85 PTGS2 (0.55) PTGS2SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL441676 0.85 PTGS2 (0.55) PTGS2SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL9658252 0.84 CXCL8 (0.48) PTGS1PTGS2SMN1; SMN2HPGDMAPT
SCHEMBL9655194 0.83 SCN9A (0.48) PTGS1PTGS2SMN1; SMN2SLC6A2SLC6A3
SCHEMBL6599365 0.80 PTGS2 (0.48) MRGPRX1PTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL9658297 0.80 ALDH1A1 (0.50) MRGPRX1PTGS1PTGS2SMN1; SMN2HPGD
SCHEMBL9656876 0.79 PTGS1 (0.61) PTGS1PTGS2SMN1; SMN2HPGDMAPT
SCHEMBL9658654 0.79 SMN1; SMN2 (0.45) MRGPRX1PTGS1PTGS2SMN1; SMN2HPGD

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 3 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
CN-87108295-A New alkane sulfonyl aniline derivative and its medicinal compositions and preparation method 1988-07-13 CN disclosed