SCHEMBL28658950

SCHEMBL28658950

CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)c1cn(Cc2ccccc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CDC7 O00311 2/20 0.41
▸ DAPK3 O43293 2/20 0.41
▸ PAK4 O96013 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ CSNK1A1 P48729 2/20 0.41
▸ CLK2 P49760 2/20 0.41

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
SCHEMBL28651103 0.90 HDAC3 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28664143 0.88 SNCA (0.48) HDAC1EGLN1MEN1KMT2A
SCHEMBL28655462 0.85 GRN (0.38) ALDH1A1KDM5CKDM4CKDM2AKDM3A
SCHEMBL15055622 0.83 ALDH1A1 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28664287 0.83 CACNA1H (0.39) MEN1KMT2A
SCHEMBL28658947 0.83 KCNH2 (0.37) MEN1KMT2A
SCHEMBL28676235 0.83 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL28655487 0.82 SMYD3 (0.37) MEN1KMT2A
SCHEMBL28658945 0.82 KCNH2 (0.36) MEN1KMT2A
SCHEMBL28670645 0.82 MEN1 (0.37) MEN1KMT2A

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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