SCHEMBL9416624

SCHEMBL9416624

COc1ccc(CN(C)C(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.89
MEN1 O00255 3/20 0.89
HSD17B2 P37059 5/20 0.61
POLB P06746 1/20 0.59
HPGD P15428 1/20 0.59
RECQL P46063 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSP90AA1 P07900 1/20 0.54
LIMK2 P53671 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
CLK1 P49759 1/20 0.52
DYRK1A Q13627 1/20 0.52

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
SCHEMBL9416583 0.90 HSD17B2 (0.74) KMT2AMEN1HSD17B2POLBHPGD
SCHEMBL18773942 0.89 KMT2A (0.84) KMT2AMEN1HSD17B2POLBHPGD
SCHEMBL15676804 0.88 KMT2A (0.82) KMT2AMEN1HSD17B2POLBHPGD
SCHEMBL10268983 0.85 KMT2A (0.78) KMT2AMEN1HSD17B2POLBHPGD
SCHEMBL9416641 0.85 MEN1 (0.77) KMT2AMEN1HSD17B2MAPK1HTT
SCHEMBL18970229 0.84 KMT2A (0.76) KMT2AMEN1HSD17B2POLBHPGD
SCHEMBL1691692 0.84 KMT2A (0.76) KMT2AMEN1HSD17B2POLBHPGD
SCHEMBL15485186 0.84 HSD17B2 (0.82) KMT2AMEN1HSD17B2POLBHPGD
SCHEMBL9416561 0.83 TSHR (0.64) KMT2AMEN1HPGDL3MBTL1MAPT
SCHEMBL12495972 0.82 HSD17B2 (0.83) KMT2AMEN1HSD17B2POLBHPGD

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