SCHEMBL30153413

SCHEMBL30153413

COc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 13/20 1.00
▸ KDR P35968 2/20 0.78
▸ TP53 P04637 2/20 0.75
▸ MEN1 O00255 1/20 0.72
▸ NPC1 O15118 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ GAA P10253 1/20 0.72
▸ MAPT P10636 1/20 0.72
▸ HPGD P15428 1/20 0.72
▸ RAB9A P51151 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ RXFP1 Q9HBX9 1/20 0.69
▸ THRB P10828 2/20 0.67

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
SCHEMBL28887841 1.00 P2RY14 (1.00) P2RY14KDRTP53MEN1NPC1
SCHEMBL28386582 0.92 P2RY14 (1.00) P2RY14KDRTP53MEN1NPC1
SCHEMBL30153295 0.92 P2RY14 (1.00) P2RY14KDRTP53MEN1NPC1
SCHEMBL28382470 0.90 P2RY14 (0.85) P2RY14KDRTP53NPC1ALDH1A1
SCHEMBL30153236 0.90 P2RY14 (0.85) P2RY14KDRTP53NPC1ALDH1A1
SCHEMBL28887384 0.90 P2RY14 (1.00) P2RY14TP53MAPTRXFP1THRB
SCHEMBL30153404 0.90 P2RY14 (1.00) P2RY14TP53MAPTRXFP1THRB
SCHEMBL30153380 0.89 P2RY14 (1.00) P2RY14KDRNPC1ALDH1A1GAA
SCHEMBL30153322 0.88 P2RY14 (0.88) P2RY14TP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL28380659 0.88 P2RY14 (0.88) P2RY14TP53ALDH1A1HPGDSMN1; SMN2

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
Send feedback