SCHEMBL366371

SCHEMBL366371

CNC(=O)c1ccc2c(C(=O)O)c3ccccc3n2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.45
SRC P12931 4/20 0.45
PLK1 P53350 2/20 0.44
NR4A2 P43354 1/20 0.44
BRD4 O60885 2/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
KDM4E B2RXH2 3/20 0.41
PTPN7 P35236 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
AGTR1 P30556 2/20 0.40
ATM Q13315 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL364265 0.86 NR4A2 (0.46) EGFRSRCNR4A2KDM4EPOLB
SCHEMBL365935 0.85 KDM4E (0.47) EGFRSRCKDM4EL3MBTL1AGTR1
SCHEMBL366784 0.84 SCN9A (0.50) EGFRSRCAGTR1
SCHEMBL366876 0.84 EGFR (0.44) EGFRSRCKDM4EAGTR1POLB
SCHEMBL365909 0.82 LMNA (0.45) EGFRSRCBRD4KDM4EL3MBTL1
SCHEMBL365666 0.81 HPGD (0.52) EGFRSRCBRD4KDM4EALDH1A1
SCHEMBL366811 0.81 EGFR (0.44) EGFRSRCKDM4EL3MBTL1AGTR1
SCHEMBL367205 0.81 EGFR (0.45) EGFRSRCKDM4EAGTR1POLB
SCHEMBL366536 0.80 EGFR (0.53) EGFRSRCKDM4EALDH1A1HPGD
SCHEMBL366370 0.78 EGFR (0.43) EGFRSRCKDM4EALDH1A1

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed