SCHEMBL9670719

SCHEMBL9670719

NC1CCc2cc3occc3cc2C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.49
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
OPRK1 P41145 1/20 0.46
PLAU P00749 1/20 0.44
ACHE P22303 1/20 0.36

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
SCHEMBL9670992 1.00 MAPT (0.50) MAPTNFKB1THPOHIF1AHSD17B10
Hydrochloric Acid SCHEMBL10574257 0.98 MAPT (0.49) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL25639095 0.88 FYN (0.42) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL25639091 0.88 FYN (0.42) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL29380401 0.88 FYN (0.42) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL25268443 0.88 FYN (0.42) MAPTNFKB1THPOHIF1AHSD17B10
Hydrochloric Acid SCHEMBL29380347 0.86 FYN (0.41) MAPTNFKB1THPOHIF1AHSD17B10
Hydrochloric Acid SCHEMBL25223812 0.86 FYN (0.41) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL6952322 0.75 CYP2A6 (0.41) NFKB1HSD17B10KDM4EACHE
SCHEMBL6947277 0.75 CYP2A6 (0.41) NFKB1HSD17B10KDM4EACHE

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
EP-0286516-B1 Amino-5,6,7,8-tetrahydro-naphtho[2,3b]furan derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-03-18 EP claimed