SCHEMBL28744877

SCHEMBL28744877

Cc1cnc(NC2CCOCC2)nc1Oc1ccc(OC(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 10/20 0.46
▸ MAPK3 P27361 2/20 0.46
▸ MAPK14 Q16539 3/20 0.44
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ MAPK8 P45983 2/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ CSF1R P07333 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
SCHEMBL28744836 0.88 HDAC3 (0.45) MAPK1MAPK3MAPK14HDAC3HDAC1
SCHEMBL29499563 0.86 MAPK1 (0.49) MAPK1MAPK3MAPK14MAPK8MAPK9
SCHEMBL28744833 0.86 MAPK1 (0.49) MAPK1MAPK3MAPK14MAPK8MAPK9
SCHEMBL28744828 0.85 MAPK1 (0.48) MAPK1MAPK3MAPK14HDAC3HDAC1
SCHEMBL28744880 0.80 MAPK1 (0.47) MAPK1MAPK3MAPK14HDAC3HDAC1
SCHEMBL28745086 0.75 HDAC3 (0.42) MAPK1MAPK3MAPK14HDAC3HDAC1
SCHEMBL28744909 0.73 MAPK1 (0.50) MAPK1MAPK3MAPK14MAPK8
SCHEMBL29499586 0.73 MAPK1 (0.50) MAPK1MAPK3MAPK14MAPK8
SCHEMBL28744849 0.73 MAPK14 (0.43) MAPK1MAPK14HDAC3HDAC1HDAC2
SCHEMBL28744862 0.72 POLB (0.43) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276331-B 4-aminopiperidine compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2023-05-23 — — CN disclosed
CN-114276331-A 4-aminopiperidine compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2022-04-05 — — CN disclosed
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