SCHEMBL28307229

SCHEMBL28307229

O=C(CCc1ccccc1)N1CSc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.58
ACHE P22303 4/20 0.58
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADRB3 P13945 1/20 0.49
HRH2 P25021 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NPC1 O15118 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL1754049 0.77 NOTUM (0.53) BCHEACHEPOLBL3MBTL1TDP1
Hydrochloric Acid SCHEMBL27756629 0.76 NOTUM (0.51) BCHEACHEPOLBL3MBTL1TDP1
SCHEMBL5026715 0.73 NOTUM (0.51) BCHEACHEL3MBTL1TSHRMAPK1
SCHEMBL7409297 0.72 POLB (0.66) POLBL3MBTL1NPC1TP53MAPT
SCHEMBL11193164 0.70 NOTUM (0.49) BCHEACHEPOLBL3MBTL1TDP1
SCHEMBL27511390 0.70 TAAR1 (0.49) BCHEACHEPOLBL3MBTL1ADRB3
SCHEMBL28119066 0.70 BCHE (0.56) BCHEPOLBTP53MAPTMAPK1
SCHEMBL30308650 0.70 NPC1 (0.48) BCHEACHEPOLBL3MBTL1NPC1
SCHEMBL11407839 0.69 BCHE (0.54) BCHEPOLBL3MBTL1TP53MAPT
SCHEMBL4404820 0.69 NPC1 (0.58) POLBL3MBTL1NPC1TDP1TP53

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-110023304-A Calpain regulator and its therapeutical uses 布莱德治疗公司 2019-07-16 CN disclosed