SCHEMBL16602010

SCHEMBL16602010

N#CC(C#N)=C1C(=O)c2ccc(-c3ccc(S)cc3)cc2-c2cc(-c3ccc(S)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40
SMAD3 P84022 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL16602022 0.86 EGFR (0.43) MAPTMEN1KMT2AAPAF1NPC1
SCHEMBL12187472 0.82 TDP2 (0.45) MAPTMEN1KMT2AAPAF1NPC1
SCHEMBL15765913 0.82 MAPT (0.38) MAPTMEN1KMT2AAPAF1NPC1
SCHEMBL16656336 0.82 MAOA (0.41) MAPTMEN1KMT2AAPAF1NPC1
SCHEMBL16601990 0.81 MAPT (0.51) MAPTMEN1KMT2AAPAF1NPC1
SCHEMBL16602009 0.78 TDP2 (0.43) MAPTMEN1KMT2AAPAF1NPC1
SCHEMBL16601666 0.78 MEN1 (0.61) MAPTMEN1KMT2AAPAF1NPC1
SCHEMBL12590260 0.77 CYP2A6 (0.40) MAPTMEN1KMT2AAPAF1NPC1
SCHEMBL16601992 0.77 MAPT (0.45) MAPTMEN1KMT2AAPAF1NPC1
SCHEMBL16602029 0.76 PTGS1 (0.38) MAPTMEN1KMT2AAPAF1NPC1

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