SCHEMBL2296512

SCHEMBL2296512

OC1CN(c2ccc[nH]2)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.31
DAO P14920 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL7189439 0.73 HDAC8 (0.34) DAOHDAC8HDAC6
SCHEMBL1478216 0.70 NPC1 (0.41) DAO
SCHEMBL3833537 0.68 LMNA (0.48)
SCHEMBL4491073 0.68 ADRB1 (0.48)
SCHEMBL30682551 0.68 EIF2AK4 (0.33)
SCHEMBL17967235 0.68 PBK (0.43)
SCHEMBL2280578 0.64 BPTF (0.54) BPTF
SCHEMBL28935502 0.63 CHRNA7 (0.52)
SCHEMBL28583221 0.63 CHRNB2 (0.38)
SCHEMBL16353808 0.62

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-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US claimed