SCHEMBL8902194

SCHEMBL8902194

CCN(C(=S)n1nnn(-c2ccccc2)c1=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
SLC6A9 P48067 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HSD11B1 P28845 1/20 0.38
FPR1 P21462 1/20 0.38
ATM Q13315 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL12115670 0.87 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAALMNASLC6A9
SCHEMBL8903104 0.87 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAALMNASLC6A9
SCHEMBL12115705 0.77 TP53 (0.41) L3MBTL1ALDH1A1GAAATMMEN1
SCHEMBL12118943 0.77 HPGD (0.45) L3MBTL1SLC6A9MEN1KMT2A
SCHEMBL12115717 0.76 ALDH1A1 (0.40) L3MBTL1ALDH1A1GAACYP1A2CYP3A4
SCHEMBL12115712 0.76 TSHR (0.43) L3MBTL1ALDH1A1ATMMEN1KMT2A
SCHEMBL8904890 0.76 ALDH1A1 (0.54) ALDH1A1GAARAB9ANPC1HSD11B1
SCHEMBL8905045 0.76 ALDH1A1 (0.54) ALDH1A1GAARAB9ANPC1HSD11B1
SCHEMBL12115723 0.76 MAPT (0.40) L3MBTL1ALDH1A1RAB9AATMMEN1
SCHEMBL12115718 0.76 LMNA (0.46) L3MBTL1ALDH1A1LMNASLC6A9HSD11B1

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
JP-9100272-A None JP disclosed
CN-1064679-C Herbicidal thiocarbamoyltetrazolinones BAYER AGROCHEM KK (JP) 2001-04-18 CN disclosed
JP-H09100272-A HERBICIDAL THIOCARBAMOYLTETRAZOLINONE COMPOUND NIPPON BAYERAGROCHEM KK 1997-04-15 JP disclosed