SCHEMBL46311

SCHEMBL46311

Cc1cnc2c(c1)C(C)(C)C(=O)N2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 2/20 0.36
TP53 P04637 1/20 0.33
POLB P06746 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PGR P06401 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
PKM P14618 1/20 0.31
CNR1 P21554 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
APP P05067 1/20 0.31
BACE1 P56817 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31

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
SCHEMBL3516319 0.81 HSD17B10 (0.40) MARK3PDE4APDE4BPDE4CPDE4D
SCHEMBL18850914 0.79 MARK3 (0.34) MARK3PDE4APDE4BPDE4CPDE4D
SCHEMBL18851017 0.79 MARK3 (0.38) MARK3TP53POLBPDE4APDE4B
SCHEMBL8624572 0.78 MARK3 (0.33) MARK3PDE4APDE4BPDE4CPDE4D
SCHEMBL31180609 0.76 MEN1 (0.39) TP53POLBMEN1KMT2AMAPT
SCHEMBL3514989 0.74 FFAR1 (0.35) MARK3BACE1
SCHEMBL15743906 0.72 LMNA (0.42) LMNA
SCHEMBL20010385 0.72 MARK3 (0.35) MARK3PDE4APDE4BPDE4CPDE4D
SCHEMBL30986481 0.70 BACE1 (0.33) MARK3PDE4APDE4BPDE4CPDE4D
SCHEMBL3519201 0.70 LMNA (0.37) MARK3PDE4APDE4BPDE4CPDE4D

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
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed