SCHEMBL8932477

SCHEMBL8932477

COc1ccc(CSC2CNC(=NC#N)NC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
APP P05067 1/20 0.37
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CRBN Q96SW2 1/20 0.34
NAAA Q02083 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL8932411 0.80 BCHE (0.39) APPIDO1CRBN
SCHEMBL8932463 0.79 NAAA (0.40) IDO1ALDH1A1CRBNNAAACYP2C9
SCHEMBL8932409 0.78 APP (0.42) MAOBMAOAAPPIDO1ALDH1A1
SCHEMBL8932546 0.78 CRBN (0.44) MAOBMAOAAPPIDO1CRBN
SCHEMBL8932562 0.78 GSK3B (0.37) APPIDO1ALDH1A1TDP1L3MBTL1
SCHEMBL8932509 0.78 TP53 (0.40) MAOBMAOAAPPIDO1ALDH1A1
SCHEMBL8932639 0.76 NAAA (0.41) MAOBMAOAAPPIDO1ALDH1A1
SCHEMBL8932404 0.76 IDO1 (0.38) IDO1ALDH1A1TDP1CRBNNAAA
SCHEMBL8932570 0.75 GAA (0.39) ALDH1A1
SCHEMBL8932476 0.75 APP (0.44) APPIDO1ALDH1A1CRBN

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