SCHEMBL27477146

SCHEMBL27477146

O=C(NC=Cc1ccccc1)Nc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.63
▸ NPC1 O15118 4/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ RAB9A P51151 3/20 0.63
▸ LMNA P02545 2/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ MAPT P10636 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.54
▸ SERPINE1 P05121 4/20 0.52
▸ EGFR P00533 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ AKR1C4 P17516 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C2 P52895 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ TRPA1 O75762 1/20 0.49
▸ GRIK1 P39086 3/20 0.49
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL27479611 0.85 PTPN1 (0.55) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL27761066 0.83 ALDH1A1 (0.64) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL8060457 0.81 EGFR (0.75) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL8060454 0.81 EGFR (0.75) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL5950432 0.77 GRIK1 (0.78) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL27782781 0.77 CXCR1 (0.54) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL5950332 0.76 GRIK1 (0.78) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL420926 0.74 TRPM2 (0.74) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL420925 0.74 TRPM2 (0.74) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL8065883 0.74 TRPA1 (0.75) ALDH1A1NPC1KDM4EMEN1KMT2A

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-1190963-A 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 1998-08-19 — — CN disclosed
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