SCHEMBL364594

SCHEMBL364594

COc1ccc2c(C(N)=O)c3ccccc3n2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
PARP1 P09874 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40

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
SCHEMBL365014 0.87 KDM4E (0.48) EGFRKMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL365565 0.86 KMT2A (0.52) KMT2AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL364207 0.83 EGFR (0.47) EGFRSRCKMT2AMAPTSMN1; SMN2
SCHEMBL367283 0.83 RAB9A (0.44) EGFRSRCKMT2AALDH1A1LMNA
SCHEMBL364969 0.81 KDM4E (0.53) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL367564 0.81 HPGD (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL365591 0.80 HPGD (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL366032 0.79 PSEN1 (0.38) EGFRSRCKMT2AMAPTSMN1; SMN2
SCHEMBL367201 0.79 EGFR (0.45) EGFRSRCKDM4EALDH1A1PARP1
SCHEMBL367764 0.79 EGFR (0.45) EGFRSRCKMT2AMAPTSMN1; SMN2

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