SCHEMBL16601741

SCHEMBL16601741

O=C1C(=O)c2ccc(-c3ccc(S)cc3)c3c(-c4ccc(S)cc4)ccc1c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.39
CES1 P23141 3/20 0.39
ACHE P22303 1/20 0.39
CES2 O00748 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 2/20 0.33
APAF1 O14727 2/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
GALK1 P51570 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL28239933 0.76 ALDH1A1 (0.46) BCHECES1ACHECES2ALDH1A1
SCHEMBL28239929 0.76 ESR1 (0.50) APAF1POLBMAOAPTPN1
SCHEMBL3198619 0.76 CES1 (0.55) BCHECES1ACHECES2ALDH1A1
SCHEMBL14257723 0.75 LMNA (0.50) BCHECES1ACHECES2ALDH1A1
SCHEMBL16601666 0.74 MEN1 (0.61) BCHECES1CES2ALDH1A1MEN1
SCHEMBL16601754 0.73 PTGS2 (0.42) BCHECES1ACHEALDH1A1MEN1
SCHEMBL4612945 0.73 CES1 (0.59) BCHECES1ACHECES2ALDH1A1
SCHEMBL967694 0.66 IDO1 (0.50) ALDH1A1MAPK1IDO1
SCHEMBL63208 0.66 IDO1 (0.50) ALDH1A1MAPK1IDO1
SCHEMBL31197555 0.66 IDO1 (0.50) ALDH1A1MAPK1IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed