SCHEMBL5822172

SCHEMBL5822172

C[S+]([O-])c1nccc(-c2sc(CN)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
PTGS1 P23219 2/20 0.41
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 1/20 0.39
KCNH2 Q12809 4/20 0.36
EGFR P00533 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL5819549 0.86 TGFBR1 (0.55) TGFBR1MAPK14KCNH2EGFRACHE
SCHEMBL5822178 0.82 EGFR (0.46) TGFBR1KCNH2EGFR
SCHEMBL5818985 0.79 CCNA2 (0.50) PTGS2PTGS1TGFBR1MAPK14
SCHEMBL5818004 0.79 MEN1 (0.33) PTGS2TGFBR1MAPK14KCNH2
SCHEMBL5818469 0.78 KCNH2 (0.54) KCNH2EGFR
SCHEMBL5819408 0.76 KCNH2 (0.62) KCNH2ACHE
SCHEMBL5777962 0.74 ALDH1A1 (0.52) TGFBR1
SCHEMBL5815219 0.72 MAPK14 (0.52) TGFBR1MAPK14EGFR
SCHEMBL5780175 0.71 ADORA2A (0.36) PTGS2PTGS1TGFBR1MAPK14
SCHEMBL5815240 0.71 MAPK14 (0.49) MAPK14KCNH2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed