SCHEMBL28949720

SCHEMBL28949720

O=C(S)c1cc(Cl)ccc1Oc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.55
SCN8A Q9UQD0 2/20 0.55
SCN10A Q9Y5Y9 2/20 0.55
PTGER2 P43116 1/20 0.53
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC8 Q9BY41 1/20 0.46
PNLIP P16233 2/20 0.45
SCN9A Q15858 1/20 0.45
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
FFAR1 O14842 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4448975 0.86 PTGER4 (0.62) PTGER4SCN8ASCN10APTGER2LMNA
SCHEMBL28949682 0.84 CYP1A2 (0.54) PTGER4LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL4449413 0.82 PTGER4 (0.57) PTGER4SCN8ASCN10APTGER2LMNA
SCHEMBL28949721 0.80 PTGER4 (0.53) PTGER4SCN8ASCN10APTGER2LMNA
SCHEMBL11575054 0.77 SCN8A (0.56) PTGER4SCN8ASCN10APTGER2LMNA
SCHEMBL19524135 0.76 SCN8A (0.58) PTGER4SCN8ASCN10APTGER2LMNA
SCHEMBL7182380 0.76 TTR (0.58) PTGER4SCN8ASCN10ALMNAL3MBTL1
SCHEMBL11577659 0.76 GAA (0.54) PTGER4PTGER2L3MBTL1SMN1; SMN2PNLIP
SCHEMBL7861651 0.74 KMT2A (0.55) SCN8ASCN10ASMN1; SMN2PNLIPHTR2A
SCHEMBL5363227 0.74 EPAS1 (0.60) PTGER4SCN8ASCN10APTGER2LMNA

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-115698292-A Aptamers binding to thiamine analogs and derivatives 梅里特斯英国第二有限公司 2023-02-03 CN disclosed