SCHEMBL22877008

SCHEMBL22877008

C=Cc1cc(C)ccc1N/N=C\C=N

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
GFER P55789 1/20 0.30
HPGD P15428 1/20 0.30
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22877004 0.81 MEN1 (0.30)
SCHEMBL16067425 0.80 RAPGEF4 (0.43) GAALMNAHPGD
SCHEMBL14850897 0.78 RAPGEF4 (0.43) GAALMNATP53TDP1
SCHEMBL22877096 0.77 ALDH1A1 (0.35) GAAHPGDTDP1
SCHEMBL22877003 0.75 ALDH1A1 (0.32) GAAHPGD
SCHEMBL23018133 0.73 HPGD (0.38) GAALMNAGFERHPGD
SCHEMBL22365614 0.73 MEN1 (0.47) GFERHPGDTDP1
SCHEMBL14100633 0.72 TDP1 (0.38) LMNAHPGDTP53TDP1
SCHEMBL23616124 0.71 CLCN2 (0.44) GAAGFERHPGD
SCHEMBL14201368 0.71 TDP1 (0.36) GAALMNAHPGDTP53TDP1

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
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP disclosed