SCHEMBL28838693

SCHEMBL28838693

CN(O[SH](=O)=O)c1cccc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PPARA Q07869 2/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ KMO O15229 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ UNG P13051 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL28143850 0.84 LOXL2 (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL27362374 0.83 KMT2A (0.40) HSD17B10HPGDPPARAKMT2AL3MBTL1
SCHEMBL28083991 0.80 CA12 (0.47) HSD17B10CYP1A2CYP2C9HPGDCA12
SCHEMBL222176 0.77 KMT2A (0.58) HSD17B10CYP1A2CYP2C9HPGDCA12
SCHEMBL29625195 0.77 KMT2A (0.58) HSD17B10CYP1A2CYP2C9HPGDCA12
SCHEMBL27294646 0.77 HTT (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL28296060 0.76 HSD17B1 (0.41) HSD17B10CYP1A2CYP2C9HPGDKMT2A
SCHEMBL27761399 0.75 KMT2A (0.57) HSD17B10CYP1A2CYP2C9HPGDCA12
SCHEMBL28847949 0.75 — —
SCHEMBL4642703 0.74 KMO (0.50) HSD17B10CYP1A2CYP2C9HPGDCA12

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
CN-106470972-B Sulfonylaminobenzamide compounds 瑞士伊兰科动物保健有限公司 2019-10-18 — — CN disclosed
CN-106660961-A Novel sulfonylaminobenzamide compounds as anthelmintics 瑞士诺华动物保健有限公司 2017-05-10 — — CN disclosed
CN-106470972-A Sulfonylaminobenzamide compounds 瑞士诺华动物保健有限公司 2017-03-01 — — CN disclosed
Send feedback