SCHEMBL7914680

SCHEMBL7914680

CC(C)(C)[S+]([O-])/N=C(\c1cccc(OCCC(F)F)c1)c1cccnc1C#N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.31
ELANE P08246 2/20 0.31
PLCG1 P19174 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL3243779 1.00 MEN1 (0.32) MEN1KMT2ALMNAELANEPLCG1
SCHEMBL3247087 1.00 MEN1 (0.32) MEN1KMT2ALMNAELANEPLCG1
SCHEMBL3247082 1.00 MEN1 (0.32) MEN1KMT2ALMNAELANEPLCG1
SCHEMBL3242715 0.90 KMT2A (0.34) MEN1KMT2ALMNAELANEPLCG1
SCHEMBL3242691 0.90 KMT2A (0.34) MEN1KMT2ALMNAELANEPLCG1
SCHEMBL7915963 0.90 KMT2A (0.34) MEN1KMT2ALMNAELANEPLCG1
SCHEMBL3242716 0.90 KMT2A (0.34) MEN1KMT2ALMNAELANEPLCG1
SCHEMBL3243574 0.87 BRAF (0.38) MEN1KMT2ALMNA
SCHEMBL3243568 0.87 BRAF (0.38) MEN1KMT2ALMNA
SCHEMBL3243570 0.87 BRAF (0.38) MEN1KMT2ALMNA

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
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed