SCHEMBL28568243

SCHEMBL28568243

O=C(O)c1ccc2c(ccn2Cc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.57
HDAC8 Q9BY41 9/20 0.57
HDAC11 Q96DB2 2/20 0.57
GCGR P47871 1/20 0.56
HDAC3 O15379 9/20 0.53
HDAC1 Q13547 9/20 0.53
HDAC2 Q92769 9/20 0.53
HDAC10 Q969S8 5/20 0.53
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
TRPV1 Q8NER1 2/20 0.48
PLA2G4A P47712 2/20 0.48
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL28562690 0.88 HDAC6 (0.64) HDAC6HDAC8HDAC11GCGRHDAC3
SCHEMBL30185530 0.88 HDAC6 (0.64) HDAC6HDAC8HDAC11GCGRHDAC3
SCHEMBL30364815 0.85 GCGR (0.52) HDAC6HDAC8HDAC11GCGRHDAC3
SCHEMBL28573537 0.85 HDAC6 (0.76) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL30185513 0.82 HDAC8 (0.68) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL7014848 0.82 HDAC8 (0.68) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL28586563 0.81 HDAC6 (0.60) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL28565908 0.81 HDAC6 (0.67) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL15971036 0.81 PLAU (0.57) HDAC6HDAC8HDAC11HDAC3HDAC1
SCHEMBL30888879 0.81 PLAU (0.57) HDAC6HDAC8HDAC11HDAC3HDAC1

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-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed
CN-112759541-A Indole-like derivatives and uses thereof 复旦大学 2021-05-07 CN disclosed