SCHEMBL4786100

SCHEMBL4786100

COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccccc3)ncn1)CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
HSD17B10 Q99714 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ALOX15 P16050 1/20 0.59
PDE4B Q07343 2/20 0.56
ABCB1 P08183 4/20 0.54
MAPK1 P28482 1/20 0.54
NPC1 O15118 2/20 0.54
THRB P10828 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
MDM2 Q00987 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 2/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL4787185 0.87 KMO (0.50) KMT2AMEN1HSD17B10KDM4EALOX15
SCHEMBL14103925 0.84 KMO (0.47) KMT2AMEN1HSD17B10KDM4EALOX15
SCHEMBL7893969 0.78 KMT2A (0.85) KMT2AMEN1HSD17B10KDM4EALOX15
SCHEMBL4738640 0.75 KMT2A (0.76) KMT2AMEN1HSD17B10KDM4EALOX15
SCHEMBL17146882 0.73 MEN1 (0.60) KMT2AMEN1HSD17B10KDM4EALOX15
SCHEMBL30674460 0.73 KMT2A (0.83) KMT2AMEN1HSD17B10KDM4EALOX15
SCHEMBL4786608 0.73 KMO (0.38) KMT2AMEN1KDM4EPDE4BALDH1A1
SCHEMBL15001940 0.72 KMT2A (0.62) KMT2AMEN1HSD17B10KDM4EALOX15
SCHEMBL21255799 0.72 MEN1 (1.00) KMT2AMEN1HSD17B10KDM4EALOX15
SCHEMBL2873071 0.72 MAPK1 (0.65) KMT2AMEN1HSD17B10KDM4EALOX15

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-2008095852-A1 BRONCHORELAXING ARYLAMIDES RESPIRATORIUS AB (SE) 2008-08-14 WO disclosed