SCHEMBL11751069

SCHEMBL11751069

Cc1ccc(-c2sc(S)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
XBP1 P17861 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PTGS2 P35354 12/20 0.50
ACHE P22303 3/20 0.46
PTGS1 P23219 2/20 0.44
APP P05067 1/20 0.41
MAPK13 O15264 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL11750667 1.00 KDM4E (0.54) KDM4ELMNAMAPTXBP1MAPK1
SCHEMBL11747493 0.92 PTGS2 (0.49) KDM4ELMNAMAPTXBP1MAPK1
SCHEMBL11755436 0.92 MAPT (0.62) KDM4ELMNAMAPTXBP1MAPK1
SCHEMBL11753884 0.85 MAPT (0.56) KDM4ELMNAMAPTXBP1MAPK1
SCHEMBL11751111 0.85 MAPT (0.56) KDM4ELMNAMAPTXBP1MAPK1
SCHEMBL11752179 0.85 PTGS2 (0.53) KDM4EMAPTPTGS2PTGS1
SCHEMBL11756102 0.85 PTGS2 (0.53) KDM4EMAPTPTGS2PTGS1
SCHEMBL11750931 0.84 MAPT (0.54) KDM4ELMNAMAPTXBP1MAPK1
SCHEMBL11755381 0.84 KDM4E (0.54) KDM4ELMNAMAPTXBP1MAPK1
SCHEMBL11754200 0.84 MAPT (0.54) KDM4ELMNAMAPTXBP1MAPK1

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-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US disclosed