SCHEMBL9719205

SCHEMBL9719205

CCCCc1cccc2sc(S)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.37
IDO1 P14902 1/20 0.36
PTGS2 P35354 2/20 0.36
KCNH2 Q12809 1/20 0.35
TLR8 Q9NR97 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCHE P06276 2/20 0.33
GRIN2B Q13224 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
NPY2R P49146 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL11785097 0.94 KCNH2 (0.44) MEN1KMT2AALDH1A1PTGS2KCNH2
SCHEMBL28692977 0.94 KCNH2 (0.44) MEN1KMT2AALDH1A1PTGS2KCNH2
SCHEMBL6697206 0.90 MEN1 (0.39) MEN1KMT2AALDH1A1IDO1MAPT
SCHEMBL28522766 0.84 MEN1 (0.35) MEN1KMT2AALDH1A1IDO1MAPT
SCHEMBL1771923 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1IDO1KCNH2
SCHEMBL28831792 0.83 HTR1A (0.33) MEN1KMT2AALDH1A1IDO1HTR1A
SCHEMBL30927818 0.83 MEN1 (0.38) MEN1KMT2AALDH1A1IDO1PTGS2
SCHEMBL28355934 0.82 TLR8 (0.45) MEN1KMT2AALDH1A1PTGS2TLR8
SCHEMBL29236690 0.81 ALDH1A1 (0.54) MEN1KMT2AALDH1A1TLR8KDM4E
SCHEMBL4539621 0.80 TYR (0.36) MEN1KMT2APTGS2TLR8MAPT

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-113293044-A Long-acting wear-resistant friction reducer composition, lubricating grease and processing oil 长沙望城石油化工有限公司 2021-08-24 CN disclosed
US-5130363-A Crosslinking agents, fillers and carboxyalkyl oligosulfides in rubbers for vulcanization and crosslinking BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed