SCHEMBL28301215

SCHEMBL28301215

NCc1cccc(C=CC(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.62
▸ CYP1B1 Q16678 6/20 0.62
▸ MAPT P10636 3/20 0.62
▸ BCHE P06276 2/20 0.62
▸ PLIN1 O60240 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ TNFRSF1A P19438 1/20 0.62
▸ ACHE P22303 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ PLIN5 Q00G26 1/20 0.62
▸ ABHD5 Q8WTS1 1/20 0.62
▸ HDAC3 O15379 1/20 0.58
▸ HDAC4 P56524 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC7 Q8WUI4 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ HDAC10 Q969S8 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL28068831 0.86 MAOB (0.64) MAOBCYP1B1MAPTBCHEPLIN1
SCHEMBL28068830 0.86 MAOB (0.64) MAOBCYP1B1MAPTBCHEPLIN1
SCHEMBL28296961 0.86 MAPT (0.68) MAOBCYP1B1MAPTBCHEPLIN1
SCHEMBL8095715 0.85 NPSR1 (0.64) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL8095713 0.85 NPSR1 (0.64) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL21457502 0.85 MAPT (0.62) MAOBCYP1B1MAPTBCHEPLIN1
SCHEMBL21457504 0.85 MAPT (0.62) MAOBCYP1B1MAPTBCHEPLIN1
Hydrochloric Acid SCHEMBL3939502 0.84 NPSR1 (0.62) MAPTLMNAHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3939500 0.84 NPSR1 (0.62) MAPTLMNAHDAC3HDAC4HDAC1
SCHEMBL13203402 0.84 MAOB (0.81) MAOBCYP1B1MAPTBCHEPLIN1

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-109761842-A The synthetic method of α-F- β-NHAc- carbonyls 浙江工业大学 2019-05-17 — — CN disclosed
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