SCHEMBL8787259

SCHEMBL8787259

O=c1cc(-c2ncc[nH]2)sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK3 P27361 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
CSNK1A1 P48729 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
SCHEMBL4243701 0.81 ADRA2A (0.46) ALDH1A1MTORADKNISCHADRA2A
SCHEMBL8787046 0.75 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1NPC1TP53
SCHEMBL8787406 0.74 ALDH1A1 (0.51) ALDH1A1ALOX15MAPK1NPC1TP53
SCHEMBL8787938 0.73 ALDH1A1 (0.49) ALDH1A1ALOX15MAPK1NPC1TP53
SCHEMBL8788707 0.72 ALDH1A1 (0.50) ALDH1A1ALOX15MAPK1NPC1TP53
SCHEMBL1374464 0.71 ALDH1A1 (0.69) ALDH1A1ALOX15MAPK1NPC1TP53
SCHEMBL8787468 0.70 ALDH1A1 (0.55) ALDH1A1ALOX15MAPK1NPC1TP53
SCHEMBL8788268 0.69 MAPK1 (0.48) ALDH1A1ALOX15MAPK1NPC1TP53
SCHEMBL21298288 0.69 ALOX5 (0.44) ALDH1A1MAPTRAB9AMTORADK
SCHEMBL8788097 0.68 ALDH1A1 (0.47) ALDH1A1ALOX15MAPK1NPC1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698575-A Chromone compounds, pharmaceutical compositions containing the same, and use of the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-12-16 US disclosed
EP-0758649-A1 Chromone derivative, process for preparing same and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1997-02-19 EP disclosed