SCHEMBL7864451

SCHEMBL7864451

Cn1cncc1C(COc1ccc(CCc2ccc(F)cc2)c(C(=O)O)c1)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.35
KDM5A P29375 3/20 0.34
KDM5B Q9UGL1 3/20 0.34
KDM4C Q9H3R0 2/20 0.33
SLC2A4 P14672 2/20 0.33
SLC2A8 Q9NY64 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SLC2A1 P11166 1/20 0.33
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7568420 0.87 FFAR1 (0.36) KDM5AKDM5BKDM4CCYP11B1CYP11B2
SCHEMBL7570258 0.84 CYP11B1 (0.34) CTSAKDM5AKDM5BKDM4CSLC2A4
SCHEMBL8194981 0.82 CTSA (0.35) CTSAKDM5AKDM5BKDM4CSLC2A4
SCHEMBL7701993 0.81 CTSA (0.33) CTSAKDM5AKDM5BKDM4CSLC2A4
SCHEMBL8199727 0.81 CTSA (0.36) CTSAKDM5AKDM5BKDM4CADORA2B
SCHEMBL7561786 0.78 KDM5A (0.35) CTSAKDM5AKDM5BKDM4CCYP11B1
SCHEMBL7561796 0.78 CTSA (0.33) CTSAKDM5AKDM5BKDM4CCYP11B1
SCHEMBL7567659 0.76 KDM5A (0.35) CTSAKDM5AKDM5BKDM4CADORA2B
SCHEMBL7567637 0.76 CYP11B1 (0.36) CTSASLC2A4SLC2A8CYP11B1CYP11B2
SCHEMBL7561297 0.76 TBXAS1 (0.38) MEN1KMT2A

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-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP disclosed