SCHEMBL8252792

SCHEMBL8252792

FC(F)(F)c1nc(C2CCCCC2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 6/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
HDAC4 P56524 6/20 0.41
HDAC8 Q9BY41 2/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM5 P41594 1/20 0.37
MIF P14174 1/20 0.36
SPR P35270 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL24752179 0.86 POLB (0.44) POLBCASP3SENP7SENP6NPC1
SCHEMBL24753886 0.86 POLB (0.44) POLBCASP3SENP7SENP6NPC1
SCHEMBL19070343 0.84 HDAC6 (0.41) POLBCASP3SENP7SENP6NPC1
SCHEMBL20471085 0.82 HDAC6 (0.41) POLBCASP3SENP7SENP6HDAC6
SCHEMBL12069835 0.82 USP7 (0.47) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL17115059 0.81 NPC1 (0.47) POLBCASP3SENP7SENP6NPC1
SCHEMBL10146061 0.81 POLB (0.46) POLBCASP3SENP7SENP6NPC1
SCHEMBL21397907 0.79 POLB (0.44) POLBCASP3SENP7SENP6NPC1
SCHEMBL13618543 0.79 POLB (0.44) POLBCASP3SENP7SENP6NPC1
SCHEMBL13163067 0.78 HDAC6 (0.43) HDAC6HDAC1HDAC5HDAC4HDAC8

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-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed