SCHEMBL5484026

SCHEMBL5484026

CSCC[C@H](NC(=O)c1ccccc1C#N)C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL5487435 0.84 CTSL (0.40) MAPK1RAB9AATM
SCHEMBL4188373 0.82 CTSS (0.39) MAPK1RAB9AATM
SCHEMBL4171002 0.81 CTSL (0.49)
SCHEMBL4183292 0.81 USP30 (0.39) SMN1; SMN2RAB9AATMALDH1A1
SCHEMBL4175687 0.80 CNR1 (0.44) MAPK1RAB9AATMALDH1A1
SCHEMBL5484030 0.80 MAPK1 (0.38) MAPK1RAB9AATM
SCHEMBL5484032 0.80 RAB9A (0.41) SMN1; SMN2RAB9ALMNAATMALDH1A1
SCHEMBL4181987 0.80 CTSL (0.43) RAB9AATMALDH1A1
SCHEMBL4186154 0.79 CTSS (0.42) ATMALDH1A1
SCHEMBL4179274 0.79 CNR1 (0.43) RAB9AALDH1A1

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-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