SCHEMBL4969223

SCHEMBL4969223

O=C(O)c1c[nH]c(=O)c(C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
RAB9A P51151 1/20 0.43
KMO O15229 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.37
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
DAO P14920 3/20 0.36
CAMKK2 Q96RR4 3/20 0.36
CAMKK1 Q8N5S9 1/20 0.36
ITK Q08881 1/20 0.35
DYRK1A Q13627 1/20 0.35
ACMSD Q8TDX5 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL4966863 0.98 RAB9A (0.45) NOTUMRAB9AKMOSMN1; SMN2EPHX2
SCHEMBL6209027 0.93 NOTUM (0.46) NOTUMRAB9AKMOSMN1; SMN2KDM4A
SCHEMBL4969319 0.84 NOTUM (0.39) NOTUMRAB9AKMOSMN1; SMN2EPHX2
SCHEMBL4965859 0.82 KMO (0.43) KMO
SCHEMBL4967987 0.78 AKR1C3 (0.44) NOTUMKMO
SCHEMBL31702895 0.78 CDC7 (0.38) SMN1; SMN2DAOCDK2
SCHEMBL11374138 0.72 KDM4E (0.50) RAB9AKMOSMN1; SMN2ACMSDHCAR2
SCHEMBL14273035 0.69 GAA (0.52) KMOKDM5AACMSD
SCHEMBL28170978 0.69 CAMKK2 (0.52) KMOCAMKK2CAMKK1ACMSD
SCHEMBL1173489 0.69 KMO (0.44) KMOCAMKK2

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-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO disclosed