SCHEMBL7689647

SCHEMBL7689647

COc1ccc(C(O)c2cc3c(Cc4cnc(N)nc4N)cc(OC)c(OC)c3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.48
MEN1 O00255 1/20 0.48
SLC22A1 O15245 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CSF1R P07333 2/20 0.46
NTRK2 Q16620 2/20 0.46
NTRK1 P04629 1/20 0.46
NTRK3 Q16288 1/20 0.46
P2RX3 P56373 2/20 0.46
P2RX2 Q9UBL9 2/20 0.46

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
SCHEMBL7687711 0.92 DHFR (0.47) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657657 0.92 DHFR (0.47) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5656778 0.92 SMN1; SMN2 (0.51) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5658809 0.83 P2RX3 (0.46) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5656006 0.83 DHFR (0.52) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657904 0.82 DHFR (0.54) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5656166 0.81 DHFR (0.50) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5659953 0.81 DHFR (0.47) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5657190 0.81 MEN1 (0.50) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL5655719 0.79 CSF1R (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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