SCHEMBL4875635

SCHEMBL4875635

COc1ccc(C=C(C#N)C(N)=S)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
ALDH1A1 P00352 8/20 0.64
GAA P10253 2/20 0.64
HTT P42858 1/20 0.64
ATM Q13315 1/20 0.64
KMT2A Q03164 7/20 0.63
KDM4E B2RXH2 5/20 0.63
HPGD P15428 5/20 0.63
BLM P54132 4/20 0.60
CYP1A2 P05177 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
CYP3A4 P08684 3/20 0.60
TSHR P16473 3/20 0.60
NFKB1 P19838 3/20 0.60
APEX1 P27695 3/20 0.60
PMP22 Q01453 3/20 0.60
TDP1 Q9NUW8 5/20 0.59
MEN1 O00255 5/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL32688397 0.95 MAPT (0.59) MAPTALDH1A1GAAHTTATM
SCHEMBL13060202 0.86 MAPT (0.72) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL22259767 0.84 CYP1A2 (0.68) MAPTALDH1A1GAAKMT2AKDM4E
SCHEMBL16295735 0.83 ALDH1A1 (0.67) MAPTALDH1A1GAAHTTATM
SCHEMBL16295736 0.83 ALDH1A1 (0.67) MAPTALDH1A1GAAHTTATM
SCHEMBL32687985 0.82 MAPT (0.49) MAPTALDH1A1GAAHTTATM
SCHEMBL4878079 0.81 MAPT (0.70) MAPTALDH1A1GAAHTTATM
SCHEMBL13060197 0.80 ALDH1A1 (0.64) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL782091 0.79 ALDH1A1 (0.65) MAPTALDH1A1KDM4EHPGDBLM
SCHEMBL782092 0.79 ALDH1A1 (0.65) MAPTALDH1A1KDM4EHPGDBLM

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-20080171440-A1 Pre-polishing treatment solution for interconnect substrate, polishing method, and method and apparatus for manufacturing interconnect substrate EBARA CORPORATION (JP) 2008-07-17 US disclosed