SCHEMBL28654023

SCHEMBL28654023

CC(C)(NC(=O)c1ccccc1)c1cn(CCc2ccc(Cl)c(Cl)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ KDM5C P41229 1/20 0.40
▸ KDM4C Q9H3R0 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
SCHEMBL28670315 0.92 MAPT (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28656141 0.90 ALDH1A1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28663991 0.84 LIPG (0.39) HDAC6MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL28651103 0.84 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28655200 0.80 HPGD (0.43) MEN1KMT2AAPOBEC3AAPOBEC3GKDM4E
SCHEMBL28664297 0.79 MAPT (0.40) MEN1KMT2AAPOBEC3AAPOBEC3GKDM4E
SCHEMBL28660941 0.79 EGLN1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28654041 0.78 HDAC1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28658961 0.78 HDAC1 (0.43) HDAC1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL28656152 0.76 SIGMAR1 (0.43) CYP1A2NR1I3SIGMAR1

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-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 — — CN disclosed
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