SCHEMBL7961680

SCHEMBL7961680

CN(C)CCOc1ncccc1-c1nc(-c2ccccc2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
MAPT P10636 6/20 0.50
TSHR P16473 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
TTR P02766 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 6/20 0.46
ATM Q13315 2/20 0.46
RAB9A P51151 6/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 3/20 0.46
MAPK1 P28482 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
L3MBTL1 Q9Y468 3/20 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
SCHEMBL13141457 0.85 BCHE (0.55) SMN1; SMN2MAPTTSHRALDH1A1HTT
Irampanel SCHEMBL678128 0.84 HTR7 (0.63) SMN1; SMN2MAPTALDH1A1HTTTTR
Irampanel SCHEMBL6879876 0.83 HTR7 (0.62) SMN1; SMN2MAPTALDH1A1HTTTTR
SCHEMBL5959899 0.81 TTR (0.72) SMN1; SMN2MAPTTSHRALDH1A1HTT
SCHEMBL7958621 0.80 GPR55 (0.48) SMN1; SMN2MAPTTSHRALDH1A1HTT
SCHEMBL7947777 0.79 TP53 (0.47) SMN1; SMN2MAPTTSHRALDH1A1HTT
SCHEMBL7947855 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MAPTALDH1A1HTTTTR
SCHEMBL7957207 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MAPTTSHRALDH1A1HTT
SCHEMBL7954980 0.78 RAB9A (0.58) SMN1; SMN2MAPTTSHRALDH1A1HTT
SCHEMBL7958685 0.78 NR1H4 (0.62) SMN1; SMN2MAPTALDH1A1HTTLMNA

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