SCHEMBL30153295

SCHEMBL30153295

COc1cccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 15/20 1.00
▸ MEN1 O00255 1/20 0.71
▸ NPC1 O15118 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ GAA P10253 1/20 0.71
▸ MAPT P10636 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ RAB9A P51151 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ TP53 P04637 1/20 0.68
▸ KDR P35968 1/20 0.66
▸ CETP P11597 1/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.63

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
SCHEMBL28386582 1.00 P2RY14 (1.00) P2RY14MEN1NPC1ALDH1A1GAA
SCHEMBL30153413 0.92 P2RY14 (1.00) P2RY14MEN1NPC1ALDH1A1GAA
SCHEMBL28887841 0.92 P2RY14 (1.00) P2RY14MEN1NPC1ALDH1A1GAA
SCHEMBL30153347 0.90 P2RY14 (0.82) P2RY14NPC1ALDH1A1GAAMAPT
SCHEMBL28383853 0.90 P2RY14 (0.82) P2RY14NPC1ALDH1A1GAAMAPT
SCHEMBL30153383 0.90 P2RY14 (1.00) P2RY14SMN1; SMN2TP53RXFP1
SCHEMBL28386579 0.90 P2RY14 (1.00) P2RY14SMN1; SMN2TP53RXFP1
SCHEMBL28385401 0.89 P2RY14 (1.00) P2RY14NPC1ALDH1A1GAAHPGD
SCHEMBL30153358 0.89 P2RY14 (1.00) P2RY14NPC1ALDH1A1GAAHPGD
SCHEMBL30153340 0.88 P2RY14 (0.85) P2RY14MAPTKMT2ATP53RXFP1

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-110885318-B Benzoxazole derivative and preparation method and application thereof 苏州大学 2022-12-23 — — CN disclosed
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