SCHEMBL31389256

SCHEMBL31389256

COC(=O)c1cc(OCc2ccc(-c3ccccc3)cc2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.50
▸ SMPD1 P17405 1/20 0.48
▸ ADAM17 P78536 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ TP53 P04637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ DHODH Q02127 1/20 0.44

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
SCHEMBL31389266 0.93 ALOX15 (0.55) ALOX15ADAM17MAPTTP53TDP1
SCHEMBL31389289 0.89 MAPT (0.58) ALOX15SMPD1ADAM17MAPTTP53
SCHEMBL31389236 0.89 MAPT (0.58) ALOX15ADAM17MAPTTP53TDP1
SCHEMBL31389265 0.89 MAPT (0.50) ALOX15ADAM17MAPTTP53TDP1
SCHEMBL31389296 0.89 ALOX15 (0.52) ALOX15ADAM17MAPTTDP1
SCHEMBL31389259 0.88 ALOX15 (0.58) ALOX15ADAM17DHODH
SCHEMBL31389290 0.87 ALOX15 (0.47) ALOX15ADAM17MAPTTP53TDP1
SCHEMBL31389233 0.86 SMN1; SMN2 (0.56) SMPD1MAPT
SCHEMBL31389313 0.83 ALOX15 (0.47) ALOX15ADAM17MAPTTP53TDP1
SCHEMBL17769204 0.83 TNKS (0.53) —

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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