SCHEMBL10567993

SCHEMBL10567993

COc1ccc(-c2nsc3ccccc23)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.39
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AMY1A P0DUB6 1/20 0.35
PDE7A Q13946 1/20 0.34
HSP90AA1 P07900 2/20 0.34
ADORA2A P29274 1/20 0.34
HSP90AB1 P08238 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL10569614 0.78 FFAR4 (0.48) ALDH1A1KDM4EMAPTHSD17B10FFAR4
SCHEMBL10570943 0.78 KDM4E (0.40) EPAS1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL28563540 0.70 MAPT (0.60) EPAS1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL30987223 0.70 MAPT (0.60) EPAS1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL28167685 0.68 EPAS1 (0.57) EPAS1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL8140189 0.66 EPAS1 (0.50) EPAS1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL14339474 0.66 KDM4E (0.50) CYP17A1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL28072438 0.65 KDM4E (0.46) EPAS1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL11352516 0.64 MAPT (0.41) EPAS1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6964514 0.63 KDM4E (0.52) EPAS1ALDH1A1KDM4EMAPTHSD17B10

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
US-4868188-A 4-(Benzisothiazol-3-yl)phenoxyacetic acid 1',1'-dioxides as diuretics HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-09-19 US disclosed
EP-0110169-A2 4-(Benzisothiazol-3-yl)phenoxyacetic-acid l',l'-dioxides, a process for preparing the same, intermediates thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-06-13 EP disclosed