SCHEMBL28985146

SCHEMBL28985146

CN(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
HPGD P15428 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.59
HSP90AA1 P07900 2/20 0.56
ERN1 O75460 2/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MLYCD O95822 1/20 0.55
LIMK2 P53671 2/20 0.53
MAOA P21397 1/20 0.53
HSD17B2 P37059 2/20 0.52
HSD17B1 P14061 1/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
LIMK1 P53667 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
SCHEMBL2921609 0.82 KMT2A (0.68) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL1003665 0.81 KMT2A (0.83) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL3456214 0.81 KMT2A (0.71) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL4511359 0.81 KMT2A (0.66) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL7515538 0.80 ALDH1A1 (0.47) KMT2AMEN1HPGDALDH1A1HTT
SCHEMBL107199 0.80 CA12 (0.50) KMT2AMEN1GAAHSP90AA1HDAC6
SCHEMBL6725022 0.79 KMT2A (0.69) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL13229125 0.79 KMT2A (0.90) KMT2AMEN1HPGDALDH1A1GAA
SCHEMBL30423344 0.79 ACHE (0.54) KMT2AMEN1ALDH1A1GAAHDAC1
SCHEMBL4322968 0.79 ACHE (0.54) KMT2AMEN1ALDH1A1GAAHDAC1

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
CN-115980219-A HPLC detection method of epinephrine intermediate related substances 武汉嘉诺康医药技术有限公司 2023-04-18 CN disclosed