SCHEMBL28104580

SCHEMBL28104580

COc1ccccc1CSc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
QRFPR Q96P65 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PTGS1 P23219 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 2/20 0.41

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
SCHEMBL28104545 0.84 SMN1; SMN2 (0.48) SMN1; SMN2QRFPRL3MBTL1KMT2AMEN1
SCHEMBL8611008 0.82 SMN1; SMN2 (0.55) SMN1; SMN2QRFPRL3MBTL1KMT2AMEN1
SCHEMBL28104581 0.82 QRFPR (0.45) SMN1; SMN2QRFPRL3MBTL1SLC6A2SLC6A4
SCHEMBL1710514 0.82 SMN1; SMN2 (0.46) SMN1; SMN2QRFPRL3MBTL1KMT2AMEN1
SCHEMBL13577098 0.78 TAAR1 (0.44) SMN1; SMN2QRFPRL3MBTL1KMT2APTGS1
SCHEMBL1710758 0.75 TAAR1 (0.48) QRFPRPPARGPPARATAAR1
SCHEMBL28543149 0.74 HPGD (0.58) SMN1; SMN2QRFPRKMT2ARAB9ANPC1
SCHEMBL28835144 0.74 RAB9A (0.53) SMN1; SMN2L3MBTL1KMT2ANFE2L2RAB9A
SCHEMBL13577097 0.74 MEN1 (0.43) QRFPRSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL28104588 0.73 L3MBTL1 (0.41) SMN1; SMN2L3MBTL1SLC6A4SLC6A3PPARG

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-102639494-B Sulphones and preparation and application thereof 扎夫根公司 2016-11-09 CN disclosed