SCHEMBL5487206

SCHEMBL5487206

CC(C)(C)C(NC(=O)O)[C@H]1CN(S(=O)(=O)c2ccccc2C#N)CCO1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
CTDSP1 Q9GZU7 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.42
KDM2B Q8NHM5 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TRPV4 Q9HBA0 2/20 0.38
HSD11B1 P28845 1/20 0.38
GPR183 P32249 1/20 0.38
LMNA P02545 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
SCHEMBL4185666 0.78 ATM (0.47) KDM4ECTDSP1TDP1L3MBTL1ATM
SCHEMBL13854085 0.74 RORC (0.45) KDM4ECTDSP1TDP1L3MBTL1ATM
SCHEMBL5260659 0.72 DRD4 (0.46)
SCHEMBL5256067 0.72 DRD4 (0.46)
Hydrochloric Acid SCHEMBL4171084 0.72 ATM (0.47) KDM4ECTDSP1TDP1L3MBTL1ATM
SCHEMBL5487435 0.72 CTSL (0.40) KDM4EATM
SCHEMBL4171002 0.71 CTSL (0.49)
SCHEMBL4175983 0.71 KDM4E (0.43) KDM4EATMTRPV4
SCHEMBL4183323 0.71 TSHR (0.44) KDM4EATMHTR2AHTR2CGAA
SCHEMBL4188234 0.70 CTSL (0.44) KDM4EATMGAATSHRLMNA

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