SCHEMBL7954953

SCHEMBL7954953

COc1ccc(-c2noc(-c3ccccc3OCCN(C)C)n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.62
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
SMN1; SMN2 Q16637 10/20 0.61
NPC1 O15118 8/20 0.61
RAB9A P51151 7/20 0.61
TP53 P04637 6/20 0.61
TSHR P16473 4/20 0.61
MAPT P10636 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HPGD P15428 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
HTR7 P34969 1/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
GAA P10253 1/20 0.52

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
SCHEMBL7961594 0.88 MAPT (0.59) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL7956815 0.87 HTR7 (0.66) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL7956767 0.87 SMN1; SMN2 (0.51) HSD17B10KDM4EALDH1A1MEN1KMT2A
Irampanel SCHEMBL678128 0.86 HTR7 (0.63) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL7958824 0.86 SMN1; SMN2 (0.51) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL7958390 0.85 TTR (0.55) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL7955292 0.85 TTR (0.55) HSD17B10KDM4EALDH1A1MEN1KMT2A
Irampanel SCHEMBL6879876 0.85 HTR7 (0.62) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL7954897 0.84 HTR7 (0.56) HSD17B10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL7958616 0.84 NPC1 (0.67) HSD17B10KDM4EALDH1A1MEN1KMT2A

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