SCHEMBL11173012

SCHEMBL11173012

C=C[CH]c1cccnc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP2A6 P11509 1/20 0.32
▸ FGF23 Q9GZV9 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.30
▸ ERN1 O75460 1/20 0.30

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
SCHEMBL935465 0.83 — —
Hydrochloric Acid SCHEMBL4201170 0.81 ALDH1A1 (0.37) TRIM24TRIM33NOS3NOS1NOS2
SCHEMBL14511529 0.80 NFE2L2 (0.34) TRIM24TRIM33NOS3NOS1NOS2
SCHEMBL14677805 0.78 — —
SCHEMBL6631270 0.76 — —
SCHEMBL29948333 0.74 — —
SCHEMBL9477342 0.74 — —
SCHEMBL312449 0.74 — —
SCHEMBL18993786 0.73 P2RX7 (0.34) TRIM24TRIM33NOS3NOS1NOS2
Thiophene SCHEMBL29976406 0.73 TRIM24 (0.32) TRIM24TRIM33NOS3NOS1NOS2

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
EP-0007678-B1 OXIME ETHERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ACF CHEMIEFARMA NV (NL) 1983-03-30 — — EP disclosed
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