SCHEMBL6165975

SCHEMBL6165975

COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3ccc(Cl)cc3)oc2c1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.54
MEN1 O00255 1/20 0.54
SLC22A1 O15245 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.50

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
SCHEMBL5658323 0.93 DHFR (0.55) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657904 0.92 DHFR (0.54) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5659230 0.91 DHFR (0.53) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657385 0.91 DHFR (0.53) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5658141 0.91 DHFR (0.55) DHFRMEN1SLC22A1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL5660314 0.91 DHFR (0.52) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5655970 0.90 DHFR (0.64) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5661719 0.90 DHFR (0.54) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657331 0.90 DHFR (0.51) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657651 0.90 DHFR (0.55) DHFRMEN1SLC22A1ALDH1A1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307445-B1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2005-12-21 EP claimed
WO-2002010156-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO claimed
WO-2002010156-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ARPIDA AG (CH) 2002-02-07 WO disclosed