SCHEMBL7957012

SCHEMBL7957012

CN(C)CCOc1cccc(F)c1-c1nc(-c2ccccc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.49
RAB9A P51151 9/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
NFKB1 P19838 4/20 0.49
NFKB2 Q00653 4/20 0.49
RELA Q04206 4/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
HTR7 P34969 2/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HTR1B P28222 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 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
SCHEMBL7963733 0.93 HTR7 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
Irampanel SCHEMBL678128 0.84 HTR7 (0.63) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
Irampanel SCHEMBL6879876 0.83 HTR7 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL5736045 0.81 HTR7 (0.63) NPC1RAB9ASMN1; SMN2L3MBTL1HTR7
SCHEMBL7955292 0.81 TTR (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL7962019 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL7964562 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL7956779 0.78 HTR7 (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1HTR7
SCHEMBL7947855 0.78 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2L3MBTL1NFKB1
SCHEMBL7962298 0.78 NPC1 (0.64) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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
US-6277872-B1 ANTIISCHEMIC AGENTS; BRAIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-08-21 US disclosed