SCHEMBL8932409

SCHEMBL8932409

COc1ccc(CSC2CNC(=S)NC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 3/20 0.41
CRBN Q96SW2 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
GAA P10253 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
SCHEMBL8932546 0.85 CRBN (0.44) APPIDO1CRBNMAOAMAOB
SCHEMBL8932476 0.81 APP (0.44) APPALDH1A1TP53CYP3A4ALOX15
SCHEMBL9202656 0.79 TSHR (0.46) APPALDH1A1TSHRIDO1CRBN
SCHEMBL8932477 0.78 MAOB (0.40) APPALDH1A1IDO1CRBNMAOA
SCHEMBL8932411 0.78 BCHE (0.39) APPTSHRSMN1; SMN2IDO1CRBN
SCHEMBL8932463 0.77 NAAA (0.40) ALDH1A1CYP3A4SMN1; SMN2IDO1CRBN
SCHEMBL8932509 0.76 TP53 (0.40) APPALDH1A1TP53SMN1; SMN2IDO1
SCHEMBL8932562 0.76 GSK3B (0.37) APPALDH1A1CYP3A4TSHRIDO1
SCHEMBL9480021 0.76 REN (0.44) APPALDH1A1SMN1; SMN2IDO1CRBN
SCHEMBL8307284 0.75 TDP1 (0.50) APPALDH1A1SMN1; SMN2IDO1CRBN

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-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed