SCHEMBL28637349

SCHEMBL28637349

NC(=O)C(S)(c1ccccn1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
PGR P06401 1/20 0.43
THRB P10828 1/20 0.43
ADRB3 P13945 1/20 0.43
OPRK1 P41145 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KCNH2 Q12809 1/20 0.43
PDE3A Q14432 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 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
SCHEMBL5052302 0.90 BLM (0.48) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR
SCHEMBL5056708 0.81 AHR (0.54) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR
SCHEMBL11721606 0.78 SMN1; SMN2 (0.43) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR
SCHEMBL8283520 0.77 MAPT (0.52) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR
SCHEMBL2465434 0.77 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR
Urea SCHEMBL28161295 0.76 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR
SCHEMBL28996600 0.76 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR
SCHEMBL18765714 0.72 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR
SCHEMBL666125 0.72 BLM (0.45) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR
SCHEMBL16296452 0.72 MAPK1 (0.45) L3MBTL1SMN1; SMN2SLC22A2SLC22A1PGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250133-B fluorescence-Raman dual-probe material for detecting zinc ions and preparation method thereof 上海应用技术大学 2021-07-20 CN claimed
CN-108250133-B fluorescence-Raman dual-probe material for detecting zinc ions and preparation method thereof 上海应用技术大学 2021-07-20 CN disclosed
CN-108250133-B fluorescence-Raman dual-probe material for detecting zinc ions and preparation method thereof 上海应用技术大学 2021-07-20 CN disclosed