SCHEMBL30661803

SCHEMBL30661803

CCCCCCCCCCc1c(-c2ccccc2C)ccn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ PTPN1 P18031 1/20 0.40
▸ CES1 P23141 2/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALDH2 P05091 1/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL369523 0.90 BRD4 (0.46) BRD4ALDH1A1NPC1RAB9AKDM4E
SCHEMBL28510085 0.84 KDM4E (0.48) BRD4NR1H2NR1H3PTPN1ALDH1A1
SCHEMBL16057538 0.76 MAPT (0.40) BRD4ALDH1A1L3MBTL1KDM4EHPGD
Hydrochloric Acid SCHEMBL30661789 0.74 TYMP (0.40) ALDH1A1HPGDHSD17B10TSHR
SCHEMBL12505693 0.72 BRD4 (0.46) BRD4CES1ALDH1A1KDM4EHPGD
SCHEMBL27999695 0.71 LIPG (0.53) NR1H2NR1H3PTPN1
SCHEMBL30661774 0.68 NR1H2 (0.49) NR1H2NR1H3ALDH1A1L3MBTL1HPGD
SCHEMBL23400246 0.68 NPC1 (0.40) BRD4TLR8ALDH1A1ALDH2ALDH3A1
SCHEMBL1840439 0.68 PPARA (0.45) KDM4E
SCHEMBL1834010 0.68 PPARA (0.45) KDM4E

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
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