SCHEMBL28957908

SCHEMBL28957908

Cc1cc(C(=O)C(C)C)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ KDM4E B2RXH2 3/20 0.55
▸ RAB9A P51151 2/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51

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
SCHEMBL1305492 0.83 L3MBTL1 (0.67) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL29727188 0.83 L3MBTL1 (0.67) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL29727186 0.83 L3MBTL1 (0.67) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL30978278 0.81 L3MBTL1 (0.69) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL13209744 0.81 L3MBTL1 (0.69) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL13338300 0.81 KDM4E (0.69) MEN1KMT2ASMN1; SMN2KDM4ECYP3A4
SCHEMBL21940222 0.80 GAA (0.49) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL7719697 0.80 L3MBTL1 (0.63) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL28164670 0.80 L3MBTL1 (0.63) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL28252270 0.79 L3MBTL1 (0.61) MEN1KMT2ASMN1; SMN2L3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108980-B Preparation method of No. 4 acylated derivative of 2-methylquinoline compound 济南大学 2023-06-16 — — CN disclosed
CN-115108980-A Preparation method of 4-bit acylated derivative of 2-methylquinoline compound 济南大学 2022-09-27 — — CN disclosed
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