SCHEMBL29106963

SCHEMBL29106963

O=C=NCCCCCC(N=C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.35
MIF P14174 3/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KIF11 P52732 1/20 0.33
KEAP1 Q14145 3/20 0.32
NFE2L2 Q16236 3/20 0.32

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
SCHEMBL7598482 0.98 MIF (0.33) NAAAMIFMAOAMAOBKIF11
SCHEMBL11152541 0.94 KIF11 (0.34) NAAAMIFKIF11KEAP1NFE2L2
SCHEMBL692189 0.87 KIF11 (0.32) KIF11
SCHEMBL3882706 0.82 NAAA (0.38) NAAAMIFMAOAMAOBKIF11
SCHEMBL7732599 0.78 NAAA (0.35) NAAAMIFMAOAMAOB
SCHEMBL132502 0.76 KIF11 (0.31) KIF11
Water SCHEMBL11440384 0.75
Benzenethiol SCHEMBL11441202 0.74 NAAA (0.42) NAAAMIFMAOAMAOBKEAP1
Biphenyl SCHEMBL2353895 0.74 NAAA (0.44) NAAAMIFMAOAMAOBKEAP1
SCHEMBL28984861 0.73 MIF (0.35) MIF

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
CN-117042741-A Photopolymerizable resin composition for durable dental prostheses and restorative articles 登士柏希罗纳有限公司 2023-11-10 CN disclosed