SCHEMBL15680657

SCHEMBL15680657

C=Cc1c(OC)c(OC)cc2nc[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.42
ALK Q9UM73 1/20 0.38
DHFR P00374 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 5/20 0.36
POLB P06746 1/20 0.35
EGFR P00533 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TERT O14746 1/20 0.33

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
SCHEMBL30353903 0.83 SRC (0.48) SRCDHFRKMT2APARP1EGFR
SCHEMBL6912846 0.83 SRC (0.48) SRCDHFRKMT2APARP1EGFR
SCHEMBL30353891 0.79 SRC (0.45) SRCDHFRKMT2APARP1EGFR
SCHEMBL20546993 0.79 SRC (0.45) SRCDHFRKMT2APARP1EGFR
SCHEMBL6912439 0.79 SRC (0.45) SRCDHFRKMT2APARP1EGFR
SCHEMBL1468319 0.75 TNF (0.46) SRCDHFRKMT2APARP1POLB
SCHEMBL615784 0.71 PDE3B (0.50) SRCKMT2APARP1KDM4ENPC1
SCHEMBL29609262 0.71 PDE3B (0.50) SRCKMT2APARP1KDM4ENPC1
SCHEMBL13659569 0.70 PARP1 (0.50) SRCKMT2APARP1PDPK1SMN1; SMN2
SCHEMBL15710544 0.70 PARP1 (0.44) SRCKMT2APARP1EGFRKDM4E

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-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO disclosed