SCHEMBL30661774

SCHEMBL30661774

CCCCCCCCCCc1cccn(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.49
▸ NR1H3 Q13133 1/20 0.49
▸ LIPG Q9Y5X9 1/20 0.46
▸ BID P55957 3/20 0.43
▸ MCL1 Q07820 3/20 0.43
▸ BCL2L1 Q07817 2/20 0.43
▸ BAK1 Q16611 2/20 0.43
▸ KAT8 Q9H7Z6 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ KAT2A Q92830 1/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ KAT5 Q92993 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL21959654 0.85 TRIM24 (0.41) ALDH1A1TSHRMGLLTDP1L3MBTL1
SCHEMBL16058205 0.79 BID (0.50) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL16058319 0.79 BID (0.50) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL14975143 0.79 BID (0.50) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL14977312 0.79 BID (0.50) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL16057930 0.79 BID (0.50) NR1H2NR1H3LIPGBIDMCL1
SCHEMBL24618267 0.77 TAAR1 (0.44) ALDH1A1TSHR
SCHEMBL31618496 0.77 TRIM24 (0.39) ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL20937700 0.74 CYP2D6 (0.48) LIPGGPR84ALDH1A1TP53HSP90AA1
SCHEMBL28080853 0.74 CYP2D6 (0.48) LIPGGPR84ALDH1A1TP53HSP90AA1

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-117157285-A Pharmaceutical compounds as ubiquitin-specific protease 19 (USP 19) inhibitors 阿尔麦克探索有限公司 2023-12-01 — — CN disclosed
Send feedback