SCHEMBL21678221

SCHEMBL21678221

CNCc1cccnc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
PARP1 P09874 1/20 0.51
MPO P05164 1/20 0.45
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
MAPK10 P53779 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL535668 0.85 L3MBTL1 (0.58) L3MBTL1PARP1MPOKDM4ECYP1A2
SCHEMBL28677368 0.83 L3MBTL1 (0.57) L3MBTL1PARP1MPOKDM4ECYP1A2
SCHEMBL1979301 0.82 L3MBTL1 (0.55) L3MBTL1PARP1MPOKDM4ECYP1A2
SCHEMBL18216628 0.82 L3MBTL1 (0.55) L3MBTL1PARP1MPOKDM4ECYP1A2
SCHEMBL28759101 0.82 L3MBTL1 (0.55) L3MBTL1PARP1MPOKDM4ECYP1A2
SCHEMBL25414723 0.82 L3MBTL1 (0.55) L3MBTL1PARP1MPOKDM4ECYP1A2
SCHEMBL128967 0.82 L3MBTL1 (0.55) L3MBTL1PARP1MPOKDM4ECYP1A2
SCHEMBL12948310 0.82 L3MBTL1 (0.55) L3MBTL1PARP1MPOKDM4ECYP1A2
SCHEMBL30980820 0.82 KDM4E (0.44) L3MBTL1PARP1KDM4ECYP1A2MAPT
SCHEMBL30036150 0.82 L3MBTL1 (0.55) L3MBTL1PARP1MPOKDM4ECYP1A2

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
WO-2020022237-A1 FUSED RING LACTAM DERIVATIVES 大日本住友製薬株式会社 2020-01-30 WO disclosed