SCHEMBL1942415

SCHEMBL1942415

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
▸ IGF1R P08069 1/20 0.38
▸ NR3C2 P08235 9/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PPARG P37231 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 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
SCHEMBL1942417 0.84 CCR2 (0.49) CCR2IGF1RNR3C2SCN9AMEN1
SCHEMBL3931756 0.82 CCR2 (0.53) CCR2IGF1RNR3C2SCN9AMEN1
SCHEMBL3900906 0.75 NR3C2 (0.46) CCR2IGF1RNR3C2ACACBACACA
SCHEMBL1941172 0.74 PKM (0.52) CCR2IGF1RSCN9AMEN1KMT2A
SCHEMBL10239425 0.74 CCR2 (0.60) CCR2IGF1RNR3C2SCN9AMEN1
SCHEMBL1943028 0.74 PTPRC (0.48) CCR2IGF1RSCN9AKMT2ANPSR1
SCHEMBL19968761 0.74 SCN9A (0.47) CCR2IGF1RNR3C2SCN9AMEN1
SCHEMBL1941006 0.74 CCR2 (0.52) CCR2IGF1RSCN9AMEN1KMT2A
SCHEMBL1941340 0.74 KDR (0.62) CCR2MEN1KMT2ALMNATSHR
SCHEMBL1941059 0.74 KDR (0.49) CCR2SCN9AMEN1KMT2AALDH1A1

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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