SCHEMBL8776243

SCHEMBL8776243

Cn1cccc1C(=O)Nc1ccc(Nc2ccc(CI)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL1666557 0.85 NPC1 (0.51) HDAC1HDAC6CNR1CNR2NPC1
SCHEMBL21254776 0.83 RAB9A (0.50) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL1666561 0.81 HDAC6 (0.50) HDAC1HDAC6CNR1CNR2NPC1
SCHEMBL1664451 0.77 NPC1 (0.47) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL7715882 0.77 RAB9A (0.53) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL1664779 0.75 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL8772126 0.73 MAPT (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1664454 0.73 RAB9A (0.52) HDAC1HDAC6NPC1RAB9AHDAC3
SCHEMBL1665100 0.73 HPGDS (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL4528298 0.72 TBK1 (0.56) HDAC1HDAC6NPC1RAB9ASMN1; SMN2

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-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed