SCHEMBL4664288

SCHEMBL4664288

CC(C#N)Cc1cccc(OC(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ACHE P22303 14/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42

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
SCHEMBL9314358 0.76 KMT2A (0.66) MEN1KMT2AACHE
SCHEMBL28519082 0.75 MEN1 (0.56) MEN1KMT2AACHETAAR1
SCHEMBL28519083 0.75 MEN1 (0.56) MEN1KMT2AACHETAAR1
SCHEMBL2723540 0.74 KMT2A (0.68) MEN1KMT2AACHE
SCHEMBL27526614 0.74 KMT2A (0.68) MEN1KMT2AACHEMAOB
SCHEMBL2851334 0.74 FOLH1 (0.54)
SCHEMBL2859259 0.73 SLC7A5 (0.60) MEN1KMT2A
SCHEMBL3827847 0.73 KMT2A (0.53) MEN1KMT2AACHETAAR1MAOA
SCHEMBL14783795 0.73 MEN1 (0.61) MEN1KMT2AACHETAAR1
SCHEMBL2721243 0.72 KMT2A (0.66) MEN1KMT2AACHE

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
EP-2007737-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-31 EP disclosed
WO-2007113558-A2 QUINAZOLINONE DERIVATIVES HAVING B-RAF INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2007-10-11 WO disclosed