SCHEMBL10958729

SCHEMBL10958729

CN1C(C(=O)Cl)=C(O)c2ccccc2S1(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.64
PTGS1 P23219 3/20 0.57
PTGS2 P35354 3/20 0.57
KDM4E B2RXH2 2/20 0.57
USP2 O75604 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
MAPK1 P28482 1/20 0.56
LMNA P02545 1/20 0.54
KDR P35968 1/20 0.54
PTGES O14684 1/20 0.54
ABCB11 O95342 1/20 0.53

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
Ammonia Solution, Strong SCHEMBL10369736 0.86 HSD11B1 (0.63) HSD11B1PTGS1PTGS2KDM4EUSP2
SCHEMBL3495355 0.86 HSD11B1 (0.66) HSD11B1PTGS1PTGS2KDM4EUSP2
SCHEMBL2351157 0.86 HSD11B1 (0.66) HSD11B1PTGS1PTGS2KDM4EUSP2
SCHEMBL10959470 0.85 PTGS1 (0.65) HSD11B1PTGS1PTGS2KDM4EUSP2
SCHEMBL7995819 0.84 HSD11B1 (0.64) HSD11B1PTGS1PTGS2KDM4EUSP2
SCHEMBL11493483 0.82 CAPN1 (0.54) HSD11B1PTGS1PTGS2KDM4EUSP2
SCHEMBL30218271 0.82 HSD11B1 (0.73) HSD11B1PTGS1PTGS2KDM4EUSP2
SCHEMBL6796426 0.82 HSD11B1 (0.73) HSD11B1PTGS1PTGS2KDM4EUSP2
SCHEMBL30218275 0.81 PTGS1 (0.64) HSD11B1PTGS1PTGS2KDM4EUSP2
SCHEMBL10369737 0.81 PTGS1 (0.64) HSD11B1PTGS1PTGS2KDM4EUSP2

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-4533664-A Antithrombotic N-(6-chloro-pyrazin-2-yl)-4-Hydroxy-2H-1,2-benzothiazine-3-carboxamide-1,1-dioxide derivatives, composition, and method of use DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-08-06 US disclosed
US-4233299-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS BOEHRINGER INGELHEIM GMBH (DE) 1980-11-11 US disclosed