SCHEMBL7980713

SCHEMBL7980713

COC(=O)c1ccc2c(c1)/C(=C(/Nc1ccc(CN(C)Cc3ccccc3)cc1)c1ccccc1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
ACHE P22303 11/20 0.43
BCHE P06276 7/20 0.43
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
PDPK1 O15530 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
SCHEMBL7981209 0.94 PDPK1 (0.41) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL2574496 0.93 KDM4E (0.45) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL2574497 0.93 KDM4E (0.45) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL7225272 0.92 KDM4E (0.46) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL23252178 0.90 KDM4E (0.49) KDM4EALDH1A1LMNAACHEBCHE
SCHEMBL6979863 0.90 ACHE (0.44) ACHEBCHE
SCHEMBL6979865 0.90 ACHE (0.44) ACHEBCHE
SCHEMBL8186890 0.89 MEN1 (0.46) ALDH1A1MEN1KMT2AACHEBCHE
SCHEMBL6977153 0.89 ACHE (0.43) ACHEBCHE
SCHEMBL6977152 0.89 ACHE (0.43) ACHEBCHE

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
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed