SCHEMBL9501692

SCHEMBL9501692

CS(=O)(=O)Nc1ccc(N)cc1CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
PTGS1 P23219 4/20 0.39
PTGS2 P35354 3/20 0.39
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G7 Q13093 6/20 0.38
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
PPM1D O15297 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL9501952 0.81 CYP19A1 (0.68) CYP19A1PTGS1PTGS2MEN1PTGES
SCHEMBL17553872 0.78 PTGS1 (0.39) CYP19A1PTGS1MAPTPLA2G7ADRB3
SCHEMBL20963038 0.75 CEL (0.43) CYP19A1KMT2A
SCHEMBL23579165 0.73 NFE2L2 (0.41) CYP19A1ALDH1A1MAPTSMN1; SMN2PPM1D
SCHEMBL29973214 0.73 NFE2L2 (0.41) CYP19A1ALDH1A1MAPTSMN1; SMN2PPM1D
SCHEMBL2310180 0.71 PTGS1 (0.42) PTGS1PTGS2MAPTPLA2G7ADRB3
SCHEMBL3244812 0.70 L3MBTL1 (0.42) PTGS1MEN1ALDH1A1MAPTKMT2A
SCHEMBL14799138 0.70 CYP19A1 (0.59) CYP19A1PTGS1PTGS2MEN1PTGES
SCHEMBL8979023 0.70 PTGS2 (0.57) CYP19A1PTGS1PTGS2MEN1PTGES
SCHEMBL10012239 0.70 CEL (0.42) ALDH1A1MAPTSMN1; 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 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