SCHEMBL30874540

SCHEMBL30874540

O=C(c1cccc(Cl)c1)c1c[nH]c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 1/20 0.57
▸ MAPK14 Q16539 1/20 0.57
▸ ALDH1A1 P00352 7/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ PKM P14618 2/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ HTT P42858 4/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ NOTUM Q6P988 1/20 0.47
▸ DOT1L Q8TEK3 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL29191035 1.00 MAPK7 (0.57) MAPK7MAPK14ALDH1A1SMN1; SMN2NPC1
SCHEMBL10941754 0.88 ALOX15 (0.51) MAPK7MAPK14ALDH1A1SMN1; SMN2NPC1
SCHEMBL2419793 0.83 ALDH1A1 (0.68) MAPK7ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29191008 0.82 ALDH1A1 (0.58) MAPK7MAPK14ALDH1A1SMN1; SMN2NPC1
SCHEMBL30874536 0.82 ALDH1A1 (0.58) MAPK7MAPK14ALDH1A1SMN1; SMN2NPC1
SCHEMBL29190958 0.82 HTT (0.73) ALDH1A1SMN1; SMN2NPC1RAB9APKM
SCHEMBL30874562 0.81 RAB9A (0.52) MAPK7MAPK14ALDH1A1SMN1; SMN2NPC1
SCHEMBL29190944 0.81 RAB9A (0.52) MAPK7MAPK14ALDH1A1SMN1; SMN2NPC1
SCHEMBL30874537 0.81 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9APKM
SCHEMBL29190945 0.81 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9APKM

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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