SCHEMBL8820263

SCHEMBL8820263

O=C(SC1CSc2ncnn2C1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE2A O00408 1/20 0.31
PDE3A Q14432 1/20 0.31
ACE P12821 1/20 0.31
NR2F2 P24468 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL8820211 0.80 ADRA1A (0.33) ALDH1A1ACE
SCHEMBL8820260 0.78 USP2 (0.33) ALDH1A1LMNASMN1; SMN2ACE
SCHEMBL8817416 0.77 ALDH1A1 (0.33) ALDH1A1ACE
SCHEMBL8817341 0.75 ADORA3 (0.38) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL8817390 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8817363 0.73 TNKS2 (0.41) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8819028 0.72 ALDH1A1 (0.35) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL8932451 0.71 GAA (0.35) SMN1; SMN2ACE
SCHEMBL8820385 0.71 ACE (0.33) ALDH1A1ACE
SCHEMBL13042918 0.64 RAB9A (0.47) ALDH1A1SMN1; SMN2ACE

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
WO-1997033888-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-18 WO disclosed