SCHEMBL9060883

SCHEMBL9060883

NC(=O)n1ccc(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
KDM4E B2RXH2 2/20 0.40
PARP1 P09874 2/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX4 Q99571 1/20 0.36
GLA P06280 1/20 0.36
CFD P00746 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6593785 0.87 NOTUM (0.42) NOTUMKDM4EPOLBALDH1A1TSHR
SCHEMBL1924917 0.81 NOTUM (0.62) NOTUMKDM4EPOLBALDH1A1MAPT
SCHEMBL31462133 0.75 PARP1 (0.42) NOTUMKDM4EPARP1ALDH1A1MAPT
SCHEMBL608411 0.75 NOTUM (0.43) NOTUMKDM4EPOLBALDH1A1MAPT
SCHEMBL29370778 0.75 NOTUM (0.66) NOTUMPARP1KMT2ATSHRRAB9A
SCHEMBL3649822 0.75 NOTUM (0.66) NOTUMPARP1KMT2ATSHRRAB9A
SCHEMBL16339984 0.74 NOTUM (0.45) NOTUMKDM4EPARP1POLBALDH1A1
SCHEMBL19810738 0.74 MAPK1 (0.40) KDM4EPOLBALDH1A1ERCC1FEN1
SCHEMBL8579432 0.74 MAPK1 (0.40) KDM4EPOLBALDH1A1ERCC1FEN1
SCHEMBL6216786 0.74 PARP1 (0.53) NOTUMKDM4EPARP1FEN1L3MBTL1

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
JP-8311066-A None JP disclosed
JP-H08311066-A NEW 4-OXOQUINOLINECARBOXAMIDE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUT CO LTD 1996-11-26 JP disclosed