SCHEMBL30079780

SCHEMBL30079780

Nc1ccc(Oc2cccc3c2C2(CC2)CO3)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.36
TRPA1 O75762 1/20 0.32
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23926986 1.00 MAPK14 (0.36) MAPK14TRPA1BRD4MEN1KMT2A
SCHEMBL25141902 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL23927078 0.80 HSPB1 (0.48) MEN1KMT2A
SCHEMBL30257867 0.76
SCHEMBL30079509 0.74 KEAP1 (0.49) MEN1KMT2A
SCHEMBL31157938 0.74 KEAP1 (0.31)
SCHEMBL21116508 0.73 HTR1A (0.39)
SCHEMBL23927086 0.72 GABRP (0.36) TRPA1
SCHEMBL23927004 0.72 KEAP1 (0.35)
SCHEMBL30059265 0.72 MEN1 (0.40) MAPK14TRPA1BRD4MEN1KMT2A

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-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed