SCHEMBL2641950

SCHEMBL2641950

O=C(O)NCc1ccc(/C=C/c2cccnc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.44
HDAC3 O15379 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
KMT2A Q03164 1/20 0.43
SNCA P37840 2/20 0.42
NAPRT Q6XQN6 1/20 0.41
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2641957 1.00 HDAC6 (0.44) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL2641808 0.85 HDAC6 (0.46) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL2641875 0.85 HDAC6 (0.44) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL2641850 0.85 HDAC6 (0.46) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL2641812 0.85 HDAC6 (0.46) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL2641879 0.85 HDAC6 (0.44) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL2641855 0.85 HDAC6 (0.46) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL2641942 0.81 SNCA (0.43) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL2641936 0.81 SNCA (0.43) HDAC6HDAC3HDAC8HDAC4HDAC1
SCHEMBL2641913 0.77 HDAC3 (0.43) HDAC6HDAC3HDAC8HDAC4HDAC1

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-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed