SCHEMBL1942417

SCHEMBL1942417

CC(C)(C)OC(=O)Nc1cc(CSc2ccccc2C(=O)C(O)c2ccccc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.49
▸ NR3C2 P08235 6/20 0.41
▸ IGF1R P08069 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ AURKA O14965 2/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3931756 0.88 CCR2 (0.53) CCR2NR3C2IGF1RSCN9AKMT2A
SCHEMBL1942415 0.84 CCR2 (0.49) CCR2NR3C2IGF1RSCN9AKMT2A
SCHEMBL3927477 0.83 CCR2 (0.46) CCR2NR3C2KMT2AMEN1LMNA
SCHEMBL1941172 0.81 PKM (0.52) CCR2IGF1RSCN9AKMT2AMEN1
SCHEMBL1941340 0.80 KDR (0.62) CCR2KMT2AMEN1LMNATSHR
SCHEMBL1941006 0.80 CCR2 (0.52) CCR2IGF1RSCN9AKMT2AMEN1
SCHEMBL1941059 0.80 KDR (0.49) CCR2SCN9AKMT2AMEN1ALDH1A1
SCHEMBL1939963 0.78 CCR2 (0.50) CCR2KMT2AMEN1NPSR1LMNA
SCHEMBL1940043 0.78 ALDH1A1 (0.54) CCR2IGF1RKMT2AMEN1L3MBTL1
SCHEMBL1941635 0.77 KDR (0.46) CCR2KMT2AMEN1HSD17B10KDR

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
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 — — EP disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 — — EP disclosed
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