SCHEMBL8193530

SCHEMBL8193530

Cc1ncc(CCOC(c2ccc(CCc3ccc(F)cc3)c(C(=O)O)c2)c2nccs2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 7/20 0.35
CTSA P10619 5/20 0.35
KDM5A P29375 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM5B Q9UGL1 2/20 0.32
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL8185553 0.92 MAPK8 (0.34) BRS3CTSAMAPK8MAPK10SLC6A9
SCHEMBL8199840 0.85 FNTA (0.39)
SCHEMBL8199591 0.85 CTSA (0.39) BRS3CTSA
SCHEMBL8197252 0.85 ALDH1A1 (0.32) CTSASLC6A9
SCHEMBL7561796 0.83 CTSA (0.33) CTSAKDM5AKDM4CKDM5BSLC6A9
SCHEMBL7610663 0.81 BRS3 (0.35) BRS3CTSAKDM5AKDM4CKDM5B
SCHEMBL8194512 0.79 PTGS1 (0.37) BRS3CTSASLC6A4SLC6A3
SCHEMBL8194981 0.78 CTSA (0.35) BRS3CTSAKDM5AKDM4CKDM5B
SCHEMBL8193533 0.77 CTSA (0.35) BRS3CTSAKDM5AKDM4CKDM5B
SCHEMBL7564011 0.76 CYP11B1 (0.35) CTSA

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-1025088-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-08-09 EP disclosed
WO-1999020611-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1999-04-29 WO disclosed