SCHEMBL528456

SCHEMBL528456

N[C@@H](Cc1ccc(O)cc1)C(=O)Oc1ncnc2nc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.50
DBF4 Q9UBU7 4/20 0.50
LMNA P02545 1/20 0.44
SLC7A5 Q01650 1/20 0.42
PDPK1 O15530 1/20 0.41
AKT2 P31751 2/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
PIN1 Q13526 3/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
MGMT P16455 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
SCHEMBL4496030 0.90 CDC7 (0.60) CDC7DBF4LMNASLC7A5PDPK1
Tyrosine SCHEMBL9732191 0.78 SLC7A5 (0.56) CDC7DBF4LMNASLC7A5AKT2
Tyrosine SCHEMBL528458 0.75 SLC7A5 (0.61) SLC7A5KDM4E
Tyrosine SCHEMBL528455 0.75 SLC7A5 (0.61) SLC7A5KDM4E
SCHEMBL669596 0.73 CDC7 (0.39) CDC7DBF4LMNAPDPK1AKT2
SCHEMBL4397297 0.72 PDPK1 (0.55) CDC7DBF4LMNAPDPK1PRKACA
SCHEMBL2938609 0.72 PDPK1 (0.62) CDC7DBF4LMNAPDPK1PRKACA
SCHEMBL27680265 0.71 SLC7A5 (0.67) SLC7A5
SCHEMBL4453960 0.71 SLC7A5 (0.67) SLC7A5
SCHEMBL8187698 0.71 PDPK1 (0.53) CDC7DBF4LMNAPDPK1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598873-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2013-06-05 EP disclosed
WO-2012015904-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2012-02-02 WO disclosed
US-4212944-A AEROBICALLY PROPAGATING NOCARDIOPSIS ATRA PFIZER INC. (US) 1980-07-15 US disclosed