SCHEMBL29287147

SCHEMBL29287147

CCCCCc1ccsc1N=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
GPR35 Q9HC97 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
PLA2G4A P47712 2/20 0.35
TSHR P16473 3/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
TYR P14679 2/20 0.35
ALOX15 P16050 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BID P55957 3/20 0.34
MCL1 Q07820 3/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 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
SCHEMBL7343646 0.95 CTRC (0.35) CYSLTR2CYSLTR1GPR35PLA2G4ATSHR
SCHEMBL29287139 0.81
SCHEMBL12004972 0.76 GABRA1 (0.37) TSHRTP53CYP3A4TYRALOX15
SCHEMBL21652406 0.75 LIPG (0.41) CYSLTR2CYSLTR1GPR35LIPGTSHR
SCHEMBL17865720 0.74 LIPG (0.42) CYSLTR2CYSLTR1GPR35LIPGTSHR
SCHEMBL9242673 0.73 LIPG (0.44) CYSLTR2CYSLTR1GPR35LIPGTSHR
SCHEMBL722288 0.73 LIPG (0.44) CYSLTR2CYSLTR1GPR35LIPGTSHR
SCHEMBL14267185 0.73 LIPG (0.44) CYSLTR2CYSLTR1GPR35LIPGTSHR
SCHEMBL87684 0.73 LTB4R (0.47) LIPGTSHRTP53CYP3A4TYR
SCHEMBL12610435 0.73 LIPG (0.44) CYSLTR2CYSLTR1GPR35LIPGTSHR

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-107454849-B Method for sterilizing S-nitrosothiols 萨卢庞特咨询有限公司 2021-09-03 CN claimed