SCHEMBL13005209

SCHEMBL13005209

CC(C)(C)c1ccc2nc(-c3ccc(Cl)s3)c(CCCO)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 3/20 0.34
TP53 P04637 3/20 0.32
THRB P10828 2/20 0.32
MAPT P10636 2/20 0.32
NAMPT P43490 2/20 0.32
KCNH2 Q12809 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL10107980 0.89 SCN10A (0.35) SCN10ATP53NAMPTKCNH2
SCHEMBL10102643 0.87 SCN10A (0.34) SCN10ATP53MAPTKCNH2
SCHEMBL10102633 0.81 RPS6KB2 (0.40) SCN10ATP53MAPT
SCHEMBL13005210 0.78 AKT1 (0.39) SCN10A
SCHEMBL10102655 0.78 PDE4B (0.37) TP53MAPT
SCHEMBL10102638 0.76 GPBAR1 (0.42) SCN10AKCNH2
SCHEMBL10107978 0.75 SCN10A (0.33) SCN10AKCNH2
SCHEMBL3386183 0.74 PIK3CG (0.40) SCN10AMAPT
SCHEMBL13004730 0.71 ERCC5 (0.35)
SCHEMBL10102645 0.71 CNR2 (0.38) NAMPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891011-B1 TETRAHYDROQUINOLINES USED IN THE FORM OF MODULATORS OF MITOTIC MOTOR-PROTEINS EG5 MERCK PATENT GMBH (DE) 2010-12-08 EP disclosed