SCHEMBL7225272

SCHEMBL7225272

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 11/20 0.44
BCHE P06276 7/20 0.44
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PDPK1 O15530 1/20 0.41
NAMPT P43490 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
SCHEMBL479693 0.93 KDM4E (0.46) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL479694 0.93 KDM4E (0.46) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL7980713 0.92 KDM4E (0.45) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL7233264 0.91 ACHE (0.46) ACHEBCHENAMPT
SCHEMBL7235053 0.90 ACHE (0.45) ACHEBCHENAMPT
SCHEMBL7235050 0.90 ACHE (0.45) ACHEBCHENAMPT
SCHEMBL7233622 0.89 ACHE (0.44) ACHEBCHENAMPT
SCHEMBL7233617 0.89 ACHE (0.44) ACHEBCHENAMPT
SCHEMBL7225174 0.87 ACHE (0.46) ACHEBCHENAMPT
SCHEMBL7225172 0.87 ACHE (0.46) ACHEBCHENAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed