SCHEMBL3248694

SCHEMBL3248694

COc1ccc2[nH]c(OC(=O)N(C)C)c(Cc3cc4c(Cc5cnc(N)nc5N)cc(OC)c(OC)c4o3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
DHFR P00374 2/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3256001 0.92 SMN1; SMN2 (0.38) SMN1; SMN2DHFRMEN1SLC22A1ALDH1A1
SCHEMBL3255601 0.92 SMN1; SMN2 (0.38) SMN1; SMN2DHFRMEN1SLC22A1ALDH1A1
SCHEMBL3258062 0.92 DHFR (0.40) SMN1; SMN2DHFRMEN1SLC22A1ALDH1A1
SCHEMBL3255329 0.89 SMN1; SMN2 (0.40) SMN1; SMN2DHFRMEN1SLC22A1ALDH1A1
SCHEMBL3258019 0.85 DHFR (0.40) SMN1; SMN2DHFRMEN1SLC22A1ALDH1A1
SCHEMBL3254522 0.82 SMN1; SMN2 (0.39) SMN1; SMN2DHFRMEN1SLC22A1ALDH1A1
SCHEMBL3258035 0.82 SMN1; SMN2 (0.39) SMN1; SMN2DHFRMEN1SLC22A1ALDH1A1
SCHEMBL3248631 0.81 SMN1; SMN2 (0.36) SMN1; SMN2DHFRMEN1SLC22A1ALDH1A1
SCHEMBL3254513 0.81 SMN1; SMN2 (0.36) SMN1; SMN2DHFRMEN1SLC22A1ALDH1A1
SCHEMBL3250264 0.81 MTNR1A (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651639-B1 BENZOFURAN DERIVATIVES AND THEIR USE IN THE TREATMENT OF MICROBIAL INFECTIONS ARPIDA AG (CH) 2010-05-26 EP claimed