SCHEMBL8770348

SCHEMBL8770348

Cn1cccc1C(=O)Nc1ccc(C(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TRPV1 Q8NER1 3/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
PKM P14618 3/20 0.48
MAPT P10636 2/20 0.48
FFAR1 O14842 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GRM1 Q13255 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL1664354 0.78 HPGDS (0.63) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1663665 0.77 HPGDS (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6119181 0.77 HPGDS (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8775621 0.77 HPGDS (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3674376 0.76 TRPV1 (0.76) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL7715882 0.76 RAB9A (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8776074 0.75 NPC1 (0.50) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL1666561 0.75 HDAC6 (0.50) NPC1RAB9AMEN1KMT2ATRPV1
SCHEMBL1664364 0.75 HPGDS (0.59) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1664301 0.75 NPC1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; 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