SCHEMBL4738640

SCHEMBL4738640

COc1cc2c(cc1OC)CN(C(=O)c1cncc(-c3ccccc3)c1)CC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
MEN1 O00255 2/20 0.76
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALOX15 P16050 1/20 0.60
PDE4B Q07343 2/20 0.59
ABCB1 P08183 2/20 0.57
NPC1 O15118 2/20 0.55
THRB P10828 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
MDM2 Q00987 1/20 0.54
LMNA P02545 2/20 0.53

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
SCHEMBL4785886 0.86 HPGD (0.57) KMT2AMEN1CA1CA2CA7
SCHEMBL7893969 0.84 KMT2A (0.85) KMT2AMEN1MAPK1HSD17B10KDM4E
SCHEMBL4785434 0.82 MEN1 (0.68) KMT2AMEN1MAPK1HSD17B10KDM4E
SCHEMBL30674460 0.80 KMT2A (0.83) KMT2AMEN1MAPK1HSD17B10KDM4E
SCHEMBL21255799 0.80 MEN1 (1.00) KMT2AMEN1MAPK1HSD17B10KDM4E
SCHEMBL14103923 0.80 HPGD (0.55) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL14925200 0.76 KMT2A (0.62) KMT2AMEN1MAPK1HSD17B10KDM4E
SCHEMBL5125288 0.76 KMT2A (0.68) KMT2AMEN1MAPK1HSD17B10KDM4E
SCHEMBL4786100 0.75 KMT2A (0.64) KMT2AMEN1MAPK1HSD17B10KDM4E
SCHEMBL5127400 0.75 KMT2A (0.67) KMT2AMEN1MAPK1HSD17B10KDM4E

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