SCHEMBL9501943

SCHEMBL9501943

CS(=O)(=O)Nc1ccccc1OC1CCC2(CC1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
ALDH1A1 P00352 4/20 0.42
PTGS2 P35354 4/20 0.42
PTGS1 P23219 4/20 0.42
MEN1 O00255 1/20 0.42
PTGES O14684 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
KAT2B Q92831 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BRD4 O60885 1/20 0.36
CACNB4 O00305 1/20 0.36

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
SCHEMBL8523784 0.80 PTGS1 (0.61) CYP19A1ALDH1A1PTGS2PTGS1MEN1
SCHEMBL9501963 0.78 CYP19A1 (0.47) CYP19A1ALDH1A1PTGS2PTGS1MEN1
SCHEMBL21055602 0.73 SLC6A2 (0.47) KAT2BBAZ2BCACNB4CACNA1ACACNA1G
SCHEMBL9511659 0.72 MRGPRX1 (0.47) CYP19A1ALDH1A1PTGS2PTGS1MEN1
SCHEMBL629615 0.72 GLO1 (0.43) PTGS1ALOX15
SCHEMBL31218885 0.69 DRD2 (0.43) ALDH1A1MAPTALOX15TSHRSMN1; SMN2
SCHEMBL148028 0.69 HRH1 (0.50) ALDH1A1SMN1; SMN2CACNB4CACNA1ACACNA1G
SCHEMBL6378390 0.68 PTGS1 (0.56) CYP19A1ALDH1A1PTGS2PTGS1MEN1
SCHEMBL9503479 0.68 MRGPRX1 (0.43) CYP19A1ALDH1A1PTGS2PTGS1MEN1
SCHEMBL9501603 0.68 PTGS2 (0.43) CYP19A1ALDH1A1PTGS2PTGS1MEN1

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