SCHEMBL9416583

SCHEMBL9416583

COc1cccc(CN(C)C(=O)c2cccc(OC)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 8/20 0.74
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
POLB P06746 1/20 0.71
HPGD P15428 1/20 0.71
RECQL P46063 1/20 0.71
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
WDR5 P61964 1/20 0.58
HSD17B1 P14061 3/20 0.57
LIMK2 P53671 1/20 0.55
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
HTT P42858 1/20 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
SCHEMBL12495972 0.92 HSD17B2 (0.83) HSD17B2KMT2AMEN1POLBHPGD
SCHEMBL12687956 0.91 HSD17B2 (0.66) HSD17B2KMT2AMEN1POLBHPGD
SCHEMBL9416624 0.90 KMT2A (0.89) HSD17B2KMT2AMEN1POLBHPGD
SCHEMBL12496881 0.90 HSD17B2 (0.80) HSD17B2KMT2AMEN1POLBHPGD
SCHEMBL15485186 0.88 HSD17B2 (0.82) HSD17B2KMT2AMEN1POLBHPGD
SCHEMBL12688091 0.87 HSD17B2 (0.62) HSD17B2KMT2AMEN1POLBHPGD
SCHEMBL12688033 0.86 HSD17B2 (0.75) HSD17B2KMT2AMEN1POLBHPGD
SCHEMBL12495934 0.85 HSD17B2 (1.00) HSD17B2KMT2AMEN1POLBHPGD
SCHEMBL21425705 0.83 MEN1 (0.60) HSD17B2KMT2AMEN1POLBHPGD
SCHEMBL6417242 0.83 HSD17B2 (0.63) HSD17B2KMT2AMEN1POLBHPGD

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
EP-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 EP disclosed