SCHEMBL28670344

SCHEMBL28670344

CC(=O)Nc1cc(Cl)cc(C(=O)NC(C)(C)c2cn(CCO)nn2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ RIPK2 O43353 1/20 0.32
▸ ANO1 Q5XXA6 2/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ CACNA1H O95180 3/20 0.31
▸ CYP2D6 P10635 3/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28664281 0.91 LMNA (0.34) MAPTLMNAMEN1KMT2AHTT
SCHEMBL28658947 0.90 KCNH2 (0.37) MEN1KMT2ACACNA1HCYP2D6KCNH2
SCHEMBL28670634 0.89 LMNA (0.32) MAPTLMNAMEN1KMT2AHTT
SCHEMBL28676235 0.81 ALDH1A1 (0.38) MEN1KMT2ACACNA1HCYP2D6KCNH2
SCHEMBL28664287 0.81 CACNA1H (0.39) MEN1KMT2ACACNA1HCYP2D6KCNH2
SCHEMBL28670645 0.80 MEN1 (0.37) MEN1KMT2ACACNA1HCYP2D6KCNH2
SCHEMBL28668464 0.80 KCNH2 (0.36) MEN1KMT2ACACNA1HCYP2D6KCNH2
SCHEMBL28658945 0.80 KCNH2 (0.36) MEN1KMT2ACACNA1HCYP2D6KCNH2
SCHEMBL28668938 0.79 SMPD1 (0.36) MAPTMAPK14KCNH2ABCG2HDAC1
SCHEMBL28655462 0.78 GRN (0.38) MAPTMEN1KMT2ACACNA1HCYP2D6

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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