SCHEMBL365273

SCHEMBL365273

COc1cc(C(=O)O)cn2c1c(C(N)=O)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 2/20 0.40
TTR P02766 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
RORC P51449 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 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
SCHEMBL367766 0.93 L3MBTL1 (0.43) PLA2G4AL3MBTL1EGFRSRCKMT2A
SCHEMBL365021 0.91 SMN1; SMN2 (0.42) PLA2G4ACA12CA1CA2CA9
SCHEMBL365176 0.91 ATM (0.45) PLA2G4ACA12CA1CA2CA4
SCHEMBL367750 0.90 ATM (0.43) PLA2G4ACA12CA1CA2CA4
SCHEMBL366559 0.85 ATM (0.47) PLA2G4ACA12CA1CA2CA7
SCHEMBL365192 0.85 EGFR (0.41) L3MBTL1ATMEGFRSRCKMT2A
SCHEMBL365023 0.82 EGFR (0.40) EGFRSRCRORCKDM4E
SCHEMBL366034 0.81 ATM (0.41) PLA2G4ACA12CA1CA2CA7
SCHEMBL366077 0.79 ATM (0.45) CA12CA1CA2CA7CA9
SCHEMBL365490 0.78 NCEH1 (0.39) EGFRSRCKMT2ASMN1; 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