SCHEMBL30108078

SCHEMBL30108078

Nc1nc(I)cc(-c2ccco2)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
BLM P54132 1/20 0.49
ADORA2A P29274 15/20 0.48
ADORA1 P30542 14/20 0.48
ADORA2B P29275 8/20 0.48
ADORA3 P0DMS8 6/20 0.47

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
SCHEMBL1554000 0.87 MAPT (0.58) MAPTHSD17B10KDM4EALDH1A1BLM
SCHEMBL29044796 0.82 MAPT (0.53) MAPTHSD17B10KDM4EALDH1A1BLM
SCHEMBL30488014 0.82 MAPT (0.53) MAPTHSD17B10KDM4EALDH1A1BLM
SCHEMBL718474 0.79 HSP90AA1 (0.54) MAPTHSD17B10KDM4EALDH1A1BLM
SCHEMBL717572 0.79 MAPT (0.54) MAPTHSD17B10KDM4EALDH1A1BLM
SCHEMBL30353595 0.79 ADORA2A (0.50) MAPTHSD17B10KDM4EALDH1A1BLM
SCHEMBL20400583 0.76 ADORA2A (0.48) MAPTHSD17B10KDM4EALDH1A1BLM
SCHEMBL30353576 0.76 ALDH1A1 (0.58) MAPTHSD17B10KDM4EALDH1A1BLM
SCHEMBL7145784 0.76 KDM4E (0.54) MAPTHSD17B10KDM4EALDH1A1BLM
SCHEMBL928413 0.76 ADORA2A (0.58) MAPTHSD17B10ADORA2AADORA1ADORA2B

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
WO-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed