SCHEMBL7947855

SCHEMBL7947855

COc1cccc(-c2nc(-c3ccccc3)no2)c1OCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.58
TP53 P04637 8/20 0.58
MAPT P10636 6/20 0.58
NPC1 O15118 9/20 0.55
RAB9A P51151 8/20 0.55
HSD17B10 Q99714 7/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL7958621 0.86 GPR55 (0.48) SMN1; SMN2TP53MAPTNPC1RAB9A
Irampanel SCHEMBL678128 0.86 HTR7 (0.63) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7947777 0.85 TP53 (0.47) SMN1; SMN2TP53MAPTNPC1RAB9A
Irampanel SCHEMBL6879876 0.85 HTR7 (0.62) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7963733 0.82 HTR7 (0.54) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7961594 0.81 MAPT (0.59) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7957072 0.81 MAPT (0.52) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7956815 0.80 HTR7 (0.66) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7954953 0.80 HSD17B10 (0.62) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL7956775 0.79 SMN1; SMN2 (0.71) SMN1; SMN2TP53MAPTNPC1RAB9A

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