SCHEMBL9501608

SCHEMBL9501608

O=[N+]([O-])c1ccc(NS(=O)(=O)C(F)(F)F)c(SC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
PTGS2 P35354 5/20 0.44
PTGS1 P23219 4/20 0.44
CYP19A1 P11511 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
PTGES O14684 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.40

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
SCHEMBL9502695 0.99 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4PTGS2
SCHEMBL9504735 0.85 CYP19A1 (0.61) PTGS2PTGS1CYP19A1ALDH1A1MAPT
SCHEMBL9502669 0.83 CYP19A1 (0.60) PTGS2PTGS1CYP19A1ALDH1A1MAPT
SCHEMBL9502657 0.83 CYP19A1 (0.47) PTGS2PTGS1CYP19A1ALDH1A1MAPT
SCHEMBL9501613 0.80 HSP90AA1 (0.53) GRIA1GRIA2GRIA3GRIA4PTGS2
SCHEMBL9502701 0.79 HSP90AA1 (0.51) GRIA1GRIA2GRIA3GRIA4PTGS2
SCHEMBL9501964 0.77 CYP19A1 (0.73) GRIA1GRIA2GRIA3GRIA4PTGS2
SCHEMBL9502689 0.76 CYP19A1 (0.72) GRIA1GRIA2GRIA3GRIA4PTGS2
SCHEMBL9502671 0.76 CYP19A1 (0.72) GRIA1GRIA2GRIA3GRIA4PTGS2
SCHEMBL9502677 0.76 CYP19A1 (0.72) GRIA1GRIA2GRIA3GRIA4PTGS2

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-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0317332-A2 Sulfonanilide compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1989-05-24 EP disclosed