SCHEMBL5488368

SCHEMBL5488368

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NCC1CN(S(=O)(=O)c2ccc(Cl)cc2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
PHGDH O43175 3/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
LMNA P02545 1/20 0.38
S100A4 P26447 1/20 0.38
PPARG P37231 1/20 0.38
RECQL P46063 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL4178313 0.92 KMT2A (0.39) CTSLCTSSKMT2AMEN1POLB
SCHEMBL4186149 0.91 TRPA1 (0.46) CTSLCTSSKMT2AMEN1POLB
SCHEMBL4178256 0.88 CTSL (0.44) CTSLCTSSKMT2AMEN1POLB
SCHEMBL4188253 0.87 CTSL (0.43) CTSLCTSSALDH1A1PHGDHTACR2
SCHEMBL4183297 0.86 CCR1 (0.50) CTSLCTSSKMT2AMEN1POLB
SCHEMBL4187902 0.85 CTSL (0.46) CTSLCTSSALDH1A1HTTTACR2
SCHEMBL4188244 0.85 CTSL (0.41) CTSLCTSSKMT2AMEN1ALDH1A1
SCHEMBL4178416 0.84 UTS2R (0.51) CTSSKMT2AMEN1
SCHEMBL4178281 0.84 TRPV4 (0.46) CTSLCTSSF10
SCHEMBL4181177 0.83 KMT2A (0.39) CTSSKMT2AMEN1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO disclosed