SCHEMBL8656134

SCHEMBL8656134

Cc1c[nH]c(=S)n(C(C)C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HCRTR1 O43613 1/20 0.45
GAA P10253 1/20 0.45
XDH P47989 1/20 0.40
HPGD P15428 2/20 0.39
PLK1 P53350 1/20 0.39
TDP1 Q9NUW8 3/20 0.36
POLB P06746 3/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATAD2 Q6PL18 1/20 0.34
ADORA2B P29275 1/20 0.34
LMNA P02545 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34

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
SCHEMBL23163270 0.83 SLC9A1 (0.38) ALDH1A1L3MBTL1MAPTKDM4EHCRTR1
SCHEMBL28021077 0.75 ATAD2 (0.34) ALDH1A1ATAD2SLC9A1
SCHEMBL6471986 0.71 SLC9A1 (0.42) ALDH1A1MAPTKDM4EHPGDATAD2
SCHEMBL11353400 0.68 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTKDM4EHCRTR1
SCHEMBL18326354 0.65 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTKDM4EHCRTR1
SCHEMBL7141528 0.65 SLC9A1 (0.40) ATAD2SLC9A1
SCHEMBL13303071 0.65 LMNA (0.42) ALDH1A1L3MBTL1MAPTKDM4EHCRTR1
SCHEMBL5436109 0.65 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTKDM4EHCRTR1
SCHEMBL21948296 0.62 LMNA (0.34) ALDH1A1L3MBTL1MAPTKDM4EPOLB
SCHEMBL25606172 0.62 CDC25A (0.35) ALDH1A1L3MBTL1POLBADORA2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114651212-B Positive photosensitive material 默克专利股份有限公司 2025-05-02 CN disclosed
CN-112654928-B Positive photosensitive material 默克专利股份有限公司 2024-09-24 CN disclosed
EP-2643317-A1 BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
WO-2012071519-A1 BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 WO disclosed