SCHEMBL366361

SCHEMBL366361

COc1ccc2c(C(=O)NCc3ccccc3)c3ccccn3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.52
KDM4E B2RXH2 5/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.52
TACR3 P29371 1/20 0.49
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
CLK1 P49759 1/20 0.48
MAPT P10636 4/20 0.48
PABPC1 P11940 2/20 0.48
CASP3 P42574 1/20 0.48
NCOA1 Q15788 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL366150 0.84 KMT2A (0.48) S1PR3KDM4EHTTSMN1; SMN2MAPK1
SCHEMBL364302 0.83 KMT2A (0.48) KDM4EHTTSMN1; SMN2MAPK1MEN1
SCHEMBL366362 0.83 SMN1; SMN2 (0.54) KDM4EHTTSMN1; SMN2MAPK1EGFR
SCHEMBL365013 0.82 KDM4E (0.58) KDM4EHTTMAPK1EGFRSRC
SCHEMBL365703 0.81 KMT2A (0.50) KDM4EKMT2AMAPTTP53
SCHEMBL365564 0.81 KMT2A (0.56) KDM4EHTTSMN1; SMN2MAPK1EGFR
SCHEMBL364593 0.78 KMT2A (0.56) KDM4EHTTSMN1; SMN2MAPK1EGFR
SCHEMBL364968 0.77 KDM4E (0.70) KDM4EHTTSMN1; SMN2MAPK1MEN1
SCHEMBL365407 0.76 ALDH1A1 (0.58) S1PR3KDM4ESMN1; SMN2MAPK1MEN1
SCHEMBL364206 0.76 KMT2A (0.54) KDM4EHTTSMN1; SMN2MAPK1EGFR

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed