SCHEMBL8538139

SCHEMBL8538139

COc1c(C2=NCCN2)coc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 15/20 0.52
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL5310966 0.85 NISCH (0.56) NISCH
SCHEMBL105024 0.69 NISCH (1.00) NISCHALDH1A1CYP1A2HPGDCASP1
SCHEMBL8202988 0.68 NISCH (0.71) NISCH
SCHEMBL28772851 0.68 NISCH (0.96) NISCHALDH1A1CYP1A2HPGDCASP1
Bromide SCHEMBL29039569 0.68 NISCH (0.96) NISCHALDH1A1CYP1A2HPGDCASP1
Ammonia Solution, Strong SCHEMBL7104964 0.68 NISCH (0.96) NISCHALDH1A1CYP1A2HPGDCASP1
SCHEMBL8204363 0.68 NISCH (0.76) NISCH
SCHEMBL9579892 0.67 NISCH (0.81) NISCH
SCHEMBL8194659 0.67 NISCH (0.58) NISCH
SCHEMBL11739268 0.67 NISCH (0.84) NISCHALDH1A1CYP1A2HPGDCASP1

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-5723288-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans, and kits useful therefor THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-03-03 — — US disclosed
Send feedback