SCHEMBL8206760

SCHEMBL8206760

COC(=O)c1cccc(C=C(Cc2ncc[nH]2)c2nccs2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
GAA P10253 4/20 0.38
HTT P42858 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
CDK8 P49336 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P4HB P07237 3/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL8209367 0.88 GAA (0.39) KDM4EGAAHTTCYP1A2CYP2D6
SCHEMBL8205766 0.87 GAA (0.38) KDM4EGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL8273539 0.82 GAA (0.43) KDM4EGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL8199294 0.82 GAA (0.35) KDM4EGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL8199698 0.80 FNTA (0.46) ALDH1A1MAPK1ALOX15KMT2A
SCHEMBL8271519 0.79 SLC6A4 (0.37) KDM4EGAAHTTCYP1A2CYP2D6
SCHEMBL8205442 0.79 AXL (0.39) KDM4EGAAHTTALDH1A1
SCHEMBL8207251 0.79 MRGPRX4 (0.38) KDM4EGAAHTTSMN1; SMN2
SCHEMBL8207364 0.78 GAA (0.38) KDM4EGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL8210020 0.77 KDM4E (0.32) KDM4EGAAHTTALDH1A1

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
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed