SCHEMBL30799885

SCHEMBL30799885

S=c1[nH]cc(COc2cccc(Cl)c2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ WDR5 P61964 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAOB P27338 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ GRK2 P25098 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL29128378 1.00 KDM4C (0.44) KDM4CPOLBRXRARXRBRXRG
SCHEMBL30800076 0.82 KDM4C (0.47) KDM4CPOLBRXRARXRBRXRG
SCHEMBL29128242 0.82 KDM4C (0.47) KDM4CPOLBRXRARXRBRXRG
SCHEMBL30799956 0.81 LTA4H (0.40) LMNAMAPK1HTTSMN1; SMN2MAOB
SCHEMBL29128217 0.81 LTA4H (0.40) LMNAMAPK1HTTSMN1; SMN2MAOB
SCHEMBL29128498 0.81 GAA (0.43) LMNASMN1; SMN2MAOBNPC1RAB9A
SCHEMBL30799938 0.78 MAOB (0.39) POLBMAOBAOC3NPC1RAB9A
SCHEMBL29128567 0.78 MAOB (0.39) POLBMAOBAOC3NPC1RAB9A
SCHEMBL29128249 0.75 GAA (0.42) POLBMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL30799958 0.75 GAA (0.42) POLBMAPK1SMN1; SMN2NPC1RAB9A

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-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
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