SCHEMBL9717740

SCHEMBL9717740

COc1ccc(CCN(C)C(=O)C(NC(=O)OCc2ccccc2)C(C)C)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
BLM P54132 1/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL8769778 0.92 KMT2A (0.48) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL9717703 0.89 KMT2A (0.51) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL9717666 0.85 MAPK1 (0.52) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL9717722 0.81 CTSL (0.62) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL7378215 0.78 CTSL (0.66) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL15130921 0.77 CTSL (0.72) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL2228722 0.76 CTSL (0.67) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL28979566 0.76 CTSL (0.67) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL22952873 0.76 CTSL (0.67) KMT2AMEN1CTSLCTSBCTSS
SCHEMBL11530575 0.76 SMN1; SMN2 (0.58) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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-0493683-A1 Fungicidal amino acid amides AMERICAN CYANAMID COMPANY (US) 1992-07-08 EP disclosed