SCHEMBL28670645

SCHEMBL28670645

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KCNH2 Q12809 9/20 0.36
▸ CACNA1H O95180 8/20 0.36
▸ CYP2D6 P10635 7/20 0.36
▸ GRN P28799 4/20 0.36
▸ SORT1 Q99523 4/20 0.36
▸ CACNA1I Q9P0X4 5/20 0.35

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
SCHEMBL28658947 0.89 KCNH2 (0.37) MEN1KMT2AKCNH2CACNA1HCYP2D6
SCHEMBL28676235 0.89 ALDH1A1 (0.38) MEN1KMT2AKCNH2CACNA1HCYP2D6
SCHEMBL28664287 0.89 CACNA1H (0.39) MEN1KMT2AKCNH2CACNA1HCYP2D6
SCHEMBL28668464 0.88 KCNH2 (0.36) MEN1KMT2AKCNH2CACNA1HCYP2D6
SCHEMBL28658945 0.88 KCNH2 (0.36) MEN1KMT2AKCNH2CACNA1HCYP2D6
SCHEMBL28655462 0.87 GRN (0.38) MEN1KMT2AKCNH2CACNA1HCYP2D6
SCHEMBL28656291 0.86 KCNH2 (0.35) MEN1KMT2AKCNH2CACNA1HCYP2D6
SCHEMBL30271514 0.84 KCNH2 (0.34) MEN1KMT2AKCNH2CACNA1HCYP2D6
SCHEMBL28655487 0.84 SMYD3 (0.37) MEN1KMT2AKCNH2CACNA1HCYP2D6
SCHEMBL28649856 0.84 KCNH2 (0.34) MEN1KMT2AKCNH2CACNA1HCYP2D6

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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