SCHEMBL8090310

SCHEMBL8090310

COc1ccc(N2CSCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
GFER P55789 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
HTR7 P34969 1/20 0.43

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
SCHEMBL4786129 0.85 MAPT (0.55) POLBGAAALDH1A1MAPK1RAB9A
SCHEMBL8099334 0.82 MGLL (0.49) MGLLMAPT
SCHEMBL8089820 0.80 MAPT (0.47) POLBMAPK1RAB9ANPC1PKM
SCHEMBL8592552 0.79 MAPT (0.46) POLBL3MBTL1KMT2AMAPTMEN1
SCHEMBL29749933 0.77 MAPT (0.47) POLBGAAALDH1A1MAPK1RAB9A
SCHEMBL8089825 0.77 MAPT (0.65) ALDH1A1MGLLKMT2AMAPTMEN1
SCHEMBL8098867 0.76 MAPT (0.40) GAAALDH1A1RAB9ANPC1MAPT
SCHEMBL6031714 0.76 ALDH1A1 (0.59) POLBGAAALDH1A1RAB9ANPC1
SCHEMBL2046118 0.73 POLB (0.61) POLBGAARAB9ANPC1PKM
SCHEMBL23643027 0.72 POLB (0.47) POLBGAARAB9ANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114634502-B 3-Aryl substituted thiazolidine-4-ketone-2-methylene hydrazono methylene-1H-indole derivative and preparation method thereof 复旦大学 2024-05-24 CN disclosed
CN-114634506-B Substituted 1H-indol-2-one-yl-3, 5-substituted aryl-1, 3-thiazolidinedione derivatives 复旦大学 2024-04-19 CN disclosed
CN-114634502-A 3-aryl substituted thiazolidine-4-ketone-2-ylidenehydrazonomethylene-1H-indole derivatives and preparation method thereof 复旦大学 2022-06-17 CN disclosed
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed