SCHEMBL31389281

SCHEMBL31389281

NC(=O)c1cc(OCc2cccc3ccccc23)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ PARP10 Q53GL7 2/20 0.54
▸ PARP15 Q460N3 1/20 0.52
▸ ALOX15 P16050 1/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ GRM2 Q14416 6/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ FDPS P14324 1/20 0.44
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44
▸ CCR5 P51681 1/20 0.43

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
SCHEMBL31389276 0.90 ALOX15 (0.58) MEN1KMT2APARP10PARP15ALOX15
SCHEMBL31389269 0.85 ALOX15 (0.50) MEN1KMT2APARP10PARP15ALOX15
SCHEMBL27642217 0.84 ALOX15 (0.50) PARP10ALOX15GRM2HTT
SCHEMBL31389312 0.79 NR1H4 (0.49) MEN1KMT2A
SCHEMBL31389245 0.79 GRM2 (0.52) ALOX15GRM2HTT
SCHEMBL31389311 0.79 GRM2 (0.58) PARP10GRM2HTT
SCHEMBL31389283 0.76 NR4A2 (0.46) ALOX15GRM2
SCHEMBL4740261 0.76 ALOX15 (0.60) ALOX15ALDH1A1
SCHEMBL13075989 0.76 ALOX15 (0.77) ALOX15GRM2ALDH1A1HTT
SCHEMBL9380171 0.75 ALOX15 (0.46) ALOX15GRM2

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-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 — — CN disclosed
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