SCHEMBL8204858

SCHEMBL8204858

O=C(O)c1cc(C=C(Cc2ncc[nH]2)c2ccc(F)cc2)ccc1CCc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NAMPT P43490 8/20 0.36
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
HDAC1 Q13547 1/20 0.35
HTT P42858 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PTPN7 P35236 2/20 0.34
PTPN12 Q05209 2/20 0.34
PTPN22 Q9Y2R2 2/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BRS3 P32247 1/20 0.34

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
SCHEMBL8205928 0.89 NAMPT (0.39) GAASMN1; SMN2NAMPTHDAC1HTT
SCHEMBL8209847 0.83 FNTA (0.41) ALDH1A1
SCHEMBL8213603 0.82 HTR2B (0.40) GAASMN1; SMN2NAMPTKDM4EHTR2B
SCHEMBL7861749 0.82 HDAC1 (0.41) GAASMN1; SMN2NAMPTKDM5AKDM4C
SCHEMBL8205834 0.81 GAA (0.42) GAASMN1; SMN2NAMPTHDAC1HTT
SCHEMBL8205732 0.81 FNTA (0.37) GAASMN1; SMN2NAMPTHTTALDH1A1
SCHEMBL8206086 0.79 GAA (0.43) GAASMN1; SMN2NAMPTKDM4CHTT
SCHEMBL7703282 0.76 TBXAS1 (0.43)
SCHEMBL7703466 0.76 TBXAS1 (0.43)
SCHEMBL7703278 0.76 TBXAS1 (0.43)

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-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed