SCHEMBL7694002

SCHEMBL7694002

COc1cc(Cc2cnc(N)nc2N)c2cc(C(=O)N3CCCc4ccccc43)oc2c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 9/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 4/20 0.43
MAPT P10636 3/20 0.43
PDE4B Q07343 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
SLC22A1 O15245 1/20 0.42
DHFR P00374 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7689181 0.85 ALDH1A1 (0.49) LMNAALDH1A1MAPK1TSHRMAPT
SCHEMBL5659939 0.82 DHFR (0.42) ALDH1A1TSHRMEN1SLC22A1DHFR
SCHEMBL7689732 0.81 DHFR (0.51) ALDH1A1TSHRSMN1; SMN2MEN1SLC22A1
SCHEMBL7694315 0.79 MEN1 (0.46) ALDH1A1TSHRSMN1; SMN2MEN1SLC22A1
SCHEMBL5659771 0.79 SMN1; SMN2 (0.52) ALDH1A1TSHRSMN1; SMN2MEN1SLC22A1
SCHEMBL5660937 0.77 DHFR (0.52) ALDH1A1TSHRSMN1; SMN2MEN1SLC22A1
SCHEMBL5657306 0.76 DHFR (0.48) ALDH1A1TSHRSMN1; SMN2MEN1SLC22A1
SCHEMBL5659341 0.76 DHFR (0.48) ALDH1A1TSHRSMN1; SMN2MEN1SLC22A1
SCHEMBL6162999 0.76 DHFR (0.54) ALDH1A1TSHRSMN1; SMN2MEN1SLC22A1
SCHEMBL5657190 0.75 MEN1 (0.50) ALDH1A1TSHRSMN1; SMN2MEN1SLC22A1

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