SCHEMBL29152182

SCHEMBL29152182

O=NCCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.58
MIF P14174 2/20 0.58
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SIGMAR1 Q99720 8/20 0.52
MAOA P21397 1/20 0.50
HTR3A P46098 1/20 0.48
MAOB P27338 1/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ALOX5 P09917 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 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
SCHEMBL1523403 0.98 MIF (0.57) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL10456657 0.96 MIF (0.55) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL21694457 0.96 MIF (0.55) NAAAMIFMAPTRXFP1SIGMAR1
Hydrochloric Acid SCHEMBL28503124 0.96 MIF (0.55) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL5035695 0.96 MIF (0.55) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL3465495 0.91 HTR3A (0.57) NAAAMIFMAPTRXFP1SIGMAR1
P-Xylene SCHEMBL28772421 0.88 SCN5A (0.52) NAAAMIFMAPTRXFP1SIGMAR1
Toluene SCHEMBL27574812 0.88 SCN5A (0.49) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL9819828 0.84 NAAA (0.64) NAAAMIFMAPTRXFP1SIGMAR1
SCHEMBL9819738 0.84 NAAA (0.64) NAAAMIFMAPTRXFP1SIGMAR1

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-117479932-A Pyrazolone compounds for degenerative retinal diseases 弗洛内克斯特(股份)责任有限公司 2024-01-30 CN disclosed