SCHEMBL9645016

SCHEMBL9645016

CN1C(C(=O)Nc2ccccn2)=C(OCCO)c2ccccc2S1(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.70
PTGS2 P35354 4/20 0.70
KDM4E B2RXH2 3/20 0.70
USP2 O75604 3/20 0.70
CYP2C9 P11712 3/20 0.70
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
ALOX15 P16050 1/20 0.70
NFKB1 P19838 1/20 0.70
CYP2C19 P33261 1/20 0.70
BLM P54132 1/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
SLC22A8 Q8TCC7 1/20 0.70
MAPK1 P28482 1/20 0.69
HTR1A P08908 1/20 0.65
LMNA P02545 3/20 0.64
HTR2B P41595 1/20 0.64
GAA P10253 1/20 0.54
ABCB11 O95342 2/20 0.52

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
SCHEMBL10544146 0.95 PTGS1 (0.69) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL10540821 0.93 PTGS1 (0.66) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL10964467 0.92 PTGS1 (0.70) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL10375581 0.90 PTGS1 (0.67) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL11038084 0.89 PTGS1 (0.66) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL11224348 0.89 PTGS1 (0.66) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL9646298 0.88 LMNA (0.68) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL10542924 0.87 LMNA (0.67) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL30961657 0.87 PTGS1 (0.76) PTGS1PTGS2KDM4EUSP2CYP2C9
SCHEMBL9644986 0.87 PTGS1 (0.53) PTGS1PTGS2KDM4EUSP2CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1149781-A None JP disclosed
US-5081118-A Prodrugs, Antiinflammatory Agents, Analgesics PFIZER INC. (US) 1992-01-14 US disclosed
EP-0314329-B1 BENZOTHIAZINE DIOXIDE DERIVATIVES PFIZER INC. (US) 1992-01-08 EP disclosed
JP-H01149781-A BENZOTHIAZINE DIOXIDE DERIVATIVE PFIZER INC 1989-06-12 JP disclosed
WO-1989003682-A1 BENZOTHIAZINE DIOXIDE DERIVATIVES PFIZER INC. (US) 1989-05-05 WO disclosed
WO-1989003682-A1 BENZOTHIAZINE DIOXIDE DERIVATIVES PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0314329-A1 Benzothiazine dioxide derivatives PFIZER INC. (US) 1989-05-03 EP disclosed
EP-0314329-A1 Benzothiazine dioxide derivatives PFIZER INC. (US) 1989-05-03 EP disclosed