SCHEMBL28656291

SCHEMBL28656291

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.35
▸ CACNA1H O95180 7/20 0.35
▸ CYP2D6 P10635 6/20 0.35
▸ GRN P28799 4/20 0.34
▸ SORT1 Q99523 4/20 0.34
▸ CACNA1I Q9P0X4 5/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL28658945 0.89 KCNH2 (0.36) KCNH2CACNA1HCYP2D6GRNSORT1
SCHEMBL28655487 0.89 SMYD3 (0.37) KCNH2CACNA1HCYP2D6GRNSORT1
SCHEMBL28658947 0.87 KCNH2 (0.37) KCNH2CACNA1HCYP2D6GRNSORT1
SCHEMBL28664287 0.87 CACNA1H (0.39) KCNH2CACNA1HCYP2D6GRNSORT1
SCHEMBL28676235 0.87 ALDH1A1 (0.38) KCNH2CACNA1HCYP2D6GRNSORT1
SCHEMBL28668464 0.86 KCNH2 (0.36) KCNH2CACNA1HCYP2D6GRNSORT1
SCHEMBL28670645 0.86 MEN1 (0.37) KCNH2CACNA1HCYP2D6GRNSORT1
SCHEMBL28655462 0.85 GRN (0.38) KCNH2CACNA1HCYP2D6GRNSORT1
SCHEMBL30271514 0.83 KCNH2 (0.34) KCNH2CACNA1HCYP2D6GRNSORT1
SCHEMBL28649856 0.82 KCNH2 (0.34) KCNH2CACNA1HCYP2D6GRNSORT1

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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