SCHEMBL8932411

SCHEMBL8932411

COc1ccc(CSC2CNC(=NS(C)(=O)=O)NC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
APLNR P35414 1/20 0.38
TSHR P16473 1/20 0.38
CRBN Q96SW2 1/20 0.37
APP P05067 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 2/20 0.35

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
SCHEMBL8932570 0.84 GAA (0.39) BCHEACHETSHRSMN1; SMN2
SCHEMBL8932463 0.81 NAAA (0.40) CRBNSMN1; SMN2IDO1
SCHEMBL8932546 0.81 CRBN (0.44) BCHEACHECRBNAPPIDO1
SCHEMBL8932477 0.80 MAOB (0.40) CRBNAPPIDO1
SCHEMBL8932404 0.78 IDO1 (0.38) CRBNSMN1; SMN2IDO1
SCHEMBL8932409 0.78 APP (0.42) TSHRCRBNAPPSMN1; SMN2IDO1
SCHEMBL8932562 0.78 GSK3B (0.37) TSHRAPPIDO1
SCHEMBL8932509 0.78 TP53 (0.40) CRBNAPPSMN1; SMN2IDO1
SCHEMBL8932452 0.76 EPHX1 (0.40) ACHETSHRSMN1; SMN2
SCHEMBL9202656 0.76 TSHR (0.46) TSHRCRBNAPPIDO1

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