SCHEMBL9686909

SCHEMBL9686909

CCc1c(C(=O)N2CCN(c3cccc(OC)c3)CC2)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 1/20 0.44
DCTPP1 Q9H773 1/20 0.44
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
LIPE Q05469 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL9164648 0.90 KMT2A (0.47) KMT2AMEN1ALDH1A1THRBMAPT
SCHEMBL9688018 0.80 MEN1 (0.49) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9686788 0.75 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9280239 0.69 RXFP1 (0.45) KMT2AMEN1ALDH1A1MAPT
SCHEMBL9164713 0.67 MMP13 (0.48) ALDH1A1LMNAMAPT
SCHEMBL9689051 0.67 DCTPP1 (0.50) KMT2AMEN1DCTPP1ALDH1A1LMNA
SCHEMBL14224740 0.67 LMNA (0.63) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL14197088 0.67 KMT2A (0.59) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9688086 0.67 HSD17B2 (0.46) KMT2AMEN1ALDH1A1LMNA
SCHEMBL27739890 0.67 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNAMAPT

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed