SCHEMBL29183052

SCHEMBL29183052

O=C(O)Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 16/20 0.68
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
RAB9A P51151 1/20 0.60
PKM P14618 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL6750019 0.85 KDM4E (0.75) GRIK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7846225 0.85 GRIK1 (0.64) GRIK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7255416 0.85 GRIK1 (0.67) GRIK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL1975830 0.85 KDM4E (0.55) GRIK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL31102464 0.85 KDM4E (0.75) GRIK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL1016189 0.85 KDM4E (0.74) KDM4EALDH1A1
SCHEMBL11603313 0.84 GRIK1 (0.62) GRIK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL14521237 0.82 GRIK1 (0.60) GRIK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7761150 0.82 KDM4E (0.74) GRIK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL1308714 0.82 MEN1 (0.76) GRIK1KDM4EALDH1A1MEN1KMT2A

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-115710276-B 7-fatty amine substituted tryptamine ketone derivative, preparation method and application thereof 贵州大学 2024-04-05 CN disclosed