SCHEMBL28655462

SCHEMBL28655462

CCn1cc(C(C)(C)NC(=O)c2cc(Cl)cc(Cl)c2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 4/20 0.38
▸ SORT1 Q99523 4/20 0.38
▸ KCNH2 Q12809 5/20 0.36
▸ CACNA1H O95180 4/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CACNA1I Q9P0X4 5/20 0.35
▸ DDR1 Q08345 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ KDM3A Q9Y4C1 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL28676235 0.90 ALDH1A1 (0.38) GRNSORT1KCNH2CACNA1HCYP2D6
SCHEMBL28664287 0.88 CACNA1H (0.39) GRNSORT1KCNH2CACNA1HCYP2D6
SCHEMBL28658947 0.88 KCNH2 (0.37) GRNSORT1KCNH2CACNA1HCYP2D6
SCHEMBL28658945 0.87 KCNH2 (0.36) GRNSORT1KCNH2CACNA1HCYP2D6
SCHEMBL28670645 0.87 MEN1 (0.37) GRNSORT1KCNH2CACNA1HCYP2D6
SCHEMBL28655487 0.87 SMYD3 (0.37) GRNSORT1KCNH2CACNA1HCYP2D6
SCHEMBL28668464 0.87 KCNH2 (0.36) GRNSORT1KCNH2CACNA1HCYP2D6
SCHEMBL28658950 0.85 HDAC1 (0.46) MEN1KMT2AALDH1A1KDM5CKDM4C
SCHEMBL28656291 0.85 KCNH2 (0.35) GRNSORT1KCNH2CACNA1HCYP2D6
SCHEMBL30271514 0.83 KCNH2 (0.34) GRNSORT1KCNH2CACNA1HCYP2D6

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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