SCHEMBL19787912

SCHEMBL19787912

CCOC(=O)c1cccn(Cc2ccc(C)cc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
TP53 P04637 4/20 0.54
LMNA P02545 5/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 1/20 0.54
BRD4 O60885 2/20 0.52
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
BRDT Q58F21 1/20 0.51
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL11662580 0.86 KDM4E (0.59) MAPTTP53LMNAPOLBBRD4
SCHEMBL13306606 0.86 KDM4E (0.68) MAPTTP53LMNARXFP1POLB
SCHEMBL13306422 0.84 PDPK1 (0.50) MAPTTP53LMNARXFP1ALDH1A1
SCHEMBL13306839 0.83 MAPT (0.49) MAPTTP53LMNARXFP1BRD4
SCHEMBL19787909 0.83 MAPT (0.60) MAPTTP53LMNARXFP1POLB
SCHEMBL19787910 0.83 LMNA (0.49) MAPTTP53LMNARXFP1BRD4
SCHEMBL13306583 0.82 LMNA (0.51) MAPTTP53LMNARXFP1BRD4
SCHEMBL4994990 0.81 MAPT (0.50) MAPTTP53LMNARXFP1TSHR
SCHEMBL4986332 0.81 MAPT (0.51) MAPTTP53LMNANPC1KDM4E
SCHEMBL4989937 0.79 MAPT (0.46) MAPTTP53LMNARXFP1POLB

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
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed