SCHEMBL31389283

SCHEMBL31389283

CC(C)(C)c1ccc(COc2cc(C(N)=O)nc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ ADAM17 P78536 1/20 0.44
▸ RXRA P19793 3/20 0.44
▸ RXRB P28702 3/20 0.44
▸ RXRG P48443 2/20 0.44
▸ XDH P47989 1/20 0.43
▸ GRM2 Q14416 3/20 0.42

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
SCHEMBL31389232 0.91 ALOX15 (0.56) NR4A2RAB9AL3MBTL1NR4A1NR4A3
SCHEMBL27642217 0.88 ALOX15 (0.50) ALOX15GRM2
SCHEMBL31389290 0.88 ALOX15 (0.47) NR4A2RAB9AL3MBTL1NR4A1NR4A3
SCHEMBL31389311 0.85 GRM2 (0.58) L3MBTL1GRM2
SCHEMBL31389245 0.85 GRM2 (0.52) RAB9AL3MBTL1ALOX15GRM2
SCHEMBL31389196 0.81 HDAC6 (0.57) RAB9A
SCHEMBL31389310 0.80 MEN1 (0.56) RAB9AL3MBTL1
SCHEMBL2908552 0.78 ALOX15 (0.64) ALOX15ADAM17
SCHEMBL31389237 0.78 ALOX15 (0.64) ALOX15ADAM17
Hydrochloric Acid SCHEMBL28687342 0.76 ALOX15 (0.62) ALOX15ADAM17

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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