SCHEMBL5484030

SCHEMBL5484030

CSCC[C@@H](C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1)N(C#N)C(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
ACLY P53396 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
PKM P14618 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL5484026 0.80 MAPK1 (0.47) MAPK1ATMRAB9A
SCHEMBL4185666 0.78 ATM (0.47) MAPK1KDM4EATMCTDSP1TDP1
SCHEMBL5487435 0.77 CTSL (0.40) MAPK1KDM4EATMRAB9AKMT2A
SCHEMBL4175983 0.77 KDM4E (0.43) KDM4EATMRAB9AACLYTRPV4
SCHEMBL4171002 0.77 CTSL (0.49) CTSS
SCHEMBL4188373 0.76 CTSS (0.39) MAPK1KDM4EATMRAB9ACTSS
SCHEMBL4188234 0.76 CTSL (0.44) KDM4EATMRAB9AKMT2ATSHR
SCHEMBL4188233 0.76 CTSL (0.44) KDM4EATMRAB9AKMT2ATSHR
SCHEMBL4183292 0.75 USP30 (0.39) KDM4EATMRAB9AKMT2ACTSS
Hydrochloric Acid SCHEMBL4189192 0.75 ATM (0.40) MAPK1KDM4EATMCTDSP1TDP1

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