SCHEMBL7701993

SCHEMBL7701993

Cc1cn(C(COc2ccc(CCc3ccc(F)cc3)c(C(=O)O)c2)c2nccs2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM5A P29375 3/20 0.33
KDM5B Q9UGL1 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
SLC2A4 P14672 2/20 0.31
SLC2A8 Q9NY64 1/20 0.31
SLC2A1 P11166 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL7563819 0.85 FNTA (0.38)
SCHEMBL7567659 0.82 KDM5A (0.35) CTSAADORA2BADORA1KDM5AKDM5B
SCHEMBL8194981 0.81 CTSA (0.35) CTSAADORA2BADORA1KDM5AKDM5B
SCHEMBL7864451 0.81 CTSA (0.35) CTSAADORA2BADORA1KDM5AKDM5B
SCHEMBL8199727 0.80 CTSA (0.36) CTSAADORA2BADORA1KDM5AKDM5B
SCHEMBL8197703 0.76 FFAR4 (0.34) CTSAADORA2BADORA1PPARGPPARD
SCHEMBL7570258 0.75 CYP11B1 (0.34) CTSAADORA2BADORA1KDM5AKDM5B
SCHEMBL7610663 0.75 BRS3 (0.35) CTSAADORA2BADORA1KDM5AKDM5B
SCHEMBL8186055 0.75 ADORA2B (0.35) CTSAADORA2BADORA1PPARGPPARD
SCHEMBL7569513 0.75 TP53 (0.33) CTSAADORA2BADORA1KDM5AKDM5B

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-6342765-B1 COMPOUNDS THAT INHIBIT FARNESYLATION OF MUTANT RAS GENE PRODUCTS; TREATING DISEASES, ESPECIALLY CANCER, WHICH ARE MEDIATED THROUGH FARNESYLATION OF RAS ASTRAZENECA UK LIMITED (GB) 2002-01-29 US disclosed