SCHEMBL365192

SCHEMBL365192

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL366077 0.88 ATM (0.45) EGFRSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL367766 0.87 L3MBTL1 (0.43) EGFRSRCSMN1; SMN2KMT2ALMNA
SCHEMBL365021 0.86 SMN1; SMN2 (0.42) EGFRSRCSMN1; SMN2KMT2ALMNA
SCHEMBL365273 0.85 PLA2G4A (0.45) EGFRSRCSMN1; SMN2KMT2AMAPT
SCHEMBL365490 0.80 NCEH1 (0.39) EGFRSRCSMN1; SMN2KMT2AMEN1
SCHEMBL367750 0.80 ATM (0.43) EGFRSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL367225 0.79 KMT2A (0.40) EGFRSRCSMN1; SMN2KMT2ALMNA
SCHEMBL366075 0.77 MAPT (0.35) EGFRSRCSMN1; SMN2KMT2ALMNA
SCHEMBL367237 0.76 TSHR (0.49) SMN1; SMN2KMT2ALMNAL3MBTL1MEN1
SCHEMBL365176 0.75 ATM (0.45) KMT2ALMNAMAPTL3MBTL1MEN1

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