SCHEMBL29021736

SCHEMBL29021736

COC(=O)c1ccc(-c2ccc(N)cc2OC)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B1 P14061 3/20 0.46
▸ HSD17B2 P37059 3/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GAA P10253 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ERN1 O75460 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ IMPDH1 P20839 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39

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
SCHEMBL5643716 0.80 HDAC6 (0.68) ALDH1A1HPGDHSD17B1HSD17B2HDAC6
SCHEMBL29021866 0.79 HTT (0.49) ALDH1A1HPGDHSD17B1HSD17B2GAA
SCHEMBL7259715 0.76 APP (0.53) ALDH1A1HPGDHSD17B1HSD17B2GAA
SCHEMBL10913114 0.76 IMPDH2 (0.48) ALDH1A1GAAMAPTLMNAABL1
SCHEMBL6040630 0.76 ERN1 (0.51) ALDH1A1HPGDHSD17B1HSD17B2HDAC6
SCHEMBL29021811 0.75 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B1HSD17B2HDAC6
SCHEMBL10915722 0.75 APP (0.43) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL1235256 0.75 LMNA (0.60) ALDH1A1HPGDGAAMAPTSMN1; SMN2
SCHEMBL3918681 0.74 HPGDS (0.59) ALDH1A1HPGDHSD17B1HSD17B2HDAC6
SCHEMBL1598790 0.74 HPGD (0.50) ALDH1A1HPGDHSD17B1HSD17B2HDAC6

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-116143763-A GAS41 targeting compound, GAS41 inhibitor and pharmaceutical composition and application thereof 清华大学 2023-05-23 — — CN disclosed
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