SCHEMBL28797653

SCHEMBL28797653

O=[SH](=O)Cc1ccc(-n2cnc(Cl)c2-c2ccc(F)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.54
PTGS1 P23219 4/20 0.54

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
SCHEMBL27870838 0.88 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL27870819 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL28945659 0.87 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL27915377 0.86 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL28797656 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL27854227 0.85 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL28946077 0.84 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL27870841 0.84 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL27870831 0.84 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL27854407 0.82 PTGS2 (0.61) PTGS2PTGS1

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-102464652-A Imidazole derivative, preparation method and application BEIJING ORBIEPHARM CO LTD 2012-05-23 CN claimed
CN-102464652-B Imidazole derivative and preparation method as well application BEIJING ORBIEPHARM CO LTD 2013-08-28 CN disclosed
CN-102464652-A Imidazole derivative, preparation method and application BEIJING ORBIEPHARM CO LTD 2012-05-23 CN disclosed