SCHEMBL28706416

SCHEMBL28706416

CC(C)n1cc(-c2ccc3oc(-c4ccnc(C(=O)O)c4)nc3c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIP5K1C O60331 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40

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
SCHEMBL29479615 1.00 MAOA (0.43) MAOAADRA1ANPC1ALDH1A1HPGD
SCHEMBL29479730 0.87 HPSE (0.40) MAOAADRA1ANPC1ALDH1A1HPGD
SCHEMBL23012198 0.87 HPSE (0.40) MAOAADRA1ANPC1ALDH1A1HPGD
SCHEMBL23033561 0.87 PIM1 (0.55) PIM1PIM2HPSE
SCHEMBL28714669 0.85 PIM1 (0.40) MAOAADRA1ANPC1ALDH1A1HPGD
SCHEMBL29479701 0.84 KDM4E (0.44) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL28714630 0.84 KDM4E (0.44) NPC1ALDH1A1HPGDRAB9AHSD17B10
SCHEMBL28935935 0.84 PIK3CD (0.40) MAOAADRA1ANPC1ALDH1A1HPGD
SCHEMBL31705006 0.84 KMO (0.47) ALDH1A1SMN1; SMN2LMNAMAPK1PIK3CD
SCHEMBL28710692 0.82 S1PR1 (0.41) PIM1PIM2HPSEHDAC3HDAC1

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-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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