SCHEMBL29190977

SCHEMBL29190977

O=C(O)c1cc(C(=O)c2ccccc2Cl)c[nH]1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.76
▸ POLB P06746 1/20 0.76
▸ MTNR1A P48039 1/20 0.76
▸ MTNR1B P49286 1/20 0.76
▸ HPGD P15428 1/20 0.72
▸ PKM P14618 3/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MAPK7 Q13164 1/20 0.57
▸ DOT1L Q8TEK3 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49

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
SCHEMBL10939194 0.88 ALDH1A1 (0.67) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL29191090 0.82 ALDH1A1 (0.68) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL17607058 0.81 MAPK14 (0.67) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL29190946 0.81 ALDH1A1 (0.76) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL2419793 0.80 ALDH1A1 (0.68) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL10756348 0.79 CDC25B (0.55) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL31114395 0.78 SMN1; SMN2 (0.72) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL17607070 0.78 MAPK7 (0.63) ALDH1A1POLBMTNR1AMTNR1BPKM
SCHEMBL29190967 0.78 MAPK14 (0.55) ALDH1A1POLBMTNR1AMTNR1BHPGD
SCHEMBL29190987 0.78 ALDH1A1 (0.48) ALDH1A1POLBMTNR1AMTNR1BHPGD

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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