SCHEMBL29282181

SCHEMBL29282181

CC(N)(C(=O)S)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
BLM P54132 2/20 0.38
CYP2D6 P10635 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
PGR P06401 1/20 0.38
THRB P10828 1/20 0.38
ADRB3 P13945 1/20 0.38
OPRK1 P41145 1/20 0.38
PMP22 Q01453 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE3A Q14432 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL2086831 0.84 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1MAPK1ALDH1A1CES2
SCHEMBL622397 0.84 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1MAPK1ALDH1A1CES2
SCHEMBL28996600 0.84 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1MAPK1ALDH1A1CES2
SCHEMBL14184223 0.84 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1MAPK1ALDH1A1CES2
SCHEMBL31073982 0.84 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1MAPK1ALDH1A1CES2
SCHEMBL10442032 0.75 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1MAPK1ALDH1A1BLM
SCHEMBL29435883 0.74 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1MAPK1ALDH1A1BLM
SCHEMBL1114414 0.74 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1MAPK1ALDH1A1BLM
SCHEMBL1921572 0.74 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1MAPK1ALDH1A1BLM
SCHEMBL8283520 0.74 MAPT (0.52) SMN1; SMN2L3MBTL1MAPK1ALDH1A1CES2

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-117998889-A Light-emitting device, preparation method thereof and display device TCL科技集团股份有限公司 2024-05-07 CN disclosed