SCHEMBL44466

SCHEMBL44466

FC(F)(F)c1nc(-c2cccc(-c3cn4ccccc4n3)c2)no1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
BACE2 Q9Y5Z0 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
RAB9A P51151 9/20 0.47
GFER P55789 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
MIF P14174 1/20 0.47
NPC1 O15118 6/20 0.47
KDM4E B2RXH2 9/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
POLB P06746 4/20 0.47

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
SCHEMBL24983896 0.85 HDAC6 (0.47) HDAC4HDAC7HDAC9HDAC5HDAC6
SCHEMBL44717 0.83 RAB9A (0.58) BACE1BACE2CASP3SENP8SENP7
SCHEMBL44509 0.82 L3MBTL1 (0.60) BACE1BACE2CASP3SENP8SENP7
SCHEMBL44586 0.81 HDAC6 (0.43) HDAC4HDAC7HDAC9HDAC5HDAC6
SCHEMBL18824382 0.79 HDAC6 (0.59) HDAC4HDAC5HDAC6
SCHEMBL43747 0.79 NOTUM (0.53) BACE1BACE2CASP3SENP8SENP7
SCHEMBL6389210 0.77 CASP3 (0.56) BACE1BACE2CASP3SENP8SENP7
SCHEMBL25789107 0.77 KDM4E (0.60) BACE1BACE2CASP3SENP8SENP7
SCHEMBL44657 0.76 KDM4E (0.52) BACE1BACE2CASP3SENP8SENP7
SCHEMBL44745 0.76 HDAC6 (0.41) HDAC4HDAC7HDAC9HDAC5HDAC6

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed