SCHEMBL30874538

SCHEMBL30874538

CC(=O)c1c[nH]c(C(=O)NCc2cccc3ncccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ AKR1C3 P42330 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MAPK7 Q13164 4/20 0.47
▸ MAPK14 Q16539 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NSD2 O96028 1/20 0.46

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
SCHEMBL29191075 1.00 MEN1 (0.54) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL29191004 0.84 MEN1 (0.58) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL29190964 0.78 MEN1 (0.52) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL29191066 0.77 MAPK14 (0.60) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL30874539 0.77 ALDH1A1 (0.76) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL29191019 0.77 ALDH1A1 (0.76) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL29191042 0.76 MAPK14 (0.63) MEN1KMT2AAKR1C3HPGDMAPK7
SCHEMBL29191021 0.76 MAPK7 (0.71) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL29191072 0.76 MEN1 (0.70) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL29191079 0.75 MEN1 (0.54) MEN1KMT2AAKR1C3ALDH1A1LMNA

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-117886734-A Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-16 — — CN disclosed
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