SCHEMBL7947863

SCHEMBL7947863

C[N+](C)([O-])CCOc1ccccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
TTR P02766 1/20 0.56
SMN1; SMN2 Q16637 9/20 0.52
NPC1 O15118 8/20 0.52
RAB9A P51151 8/20 0.50
GAA P10253 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
TP53 P04637 6/20 0.49
HSD17B10 Q99714 6/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 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
SCHEMBL7957028 0.81 RAB9A (0.59) NPSR1TTRSMN1; SMN2NPC1RAB9A
SCHEMBL5734604 0.81 NPSR1 (0.59) NPSR1TTRSMN1; SMN2NPC1RAB9A
Irampanel SCHEMBL678128 0.80 HTR7 (0.63) NPSR1TTRSMN1; SMN2NPC1RAB9A
Irampanel SCHEMBL6879876 0.79 HTR7 (0.62) NPSR1TTRSMN1; SMN2NPC1RAB9A
SCHEMBL7954795 0.78 NPSR1 (0.55) NPSR1TTRSMN1; SMN2NPC1RAB9A
SCHEMBL7961699 0.76 SMN1; SMN2 (0.81) NPSR1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL5734066 0.75 MAPT (0.55) NPSR1TTRSMN1; SMN2NPC1RAB9A
SCHEMBL7947885 0.75 NPSR1 (0.56) NPSR1TTRSMN1; SMN2NPC1RAB9A
SCHEMBL5681206 0.75 NPSR1 (0.58) NPSR1TTRSMN1; SMN2NPC1RAB9A
SCHEMBL15159834 0.75 TTR (0.81) NPSR1TTRSMN1; SMN2NPC1RAB9A

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