SCHEMBL4352826

SCHEMBL4352826

O=C(Nc1cc2ccccc2[nH]1)c1cc(O)c(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 4/20 0.55
TOP2A P11388 3/20 0.55
TOP2B Q02880 3/20 0.55
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRIK1 P39086 1/20 0.45
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
RPS6KA2 Q15349 1/20 0.45
SNCA P37840 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
PLTP P55058 1/20 0.44

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
SCHEMBL7433791 0.84 NPC1 (0.58) GAANPC1LMNARAB9ASMN1; SMN2
SCHEMBL3738262 0.79 TOP1 (0.58) TOP1TOP2ATOP2BGAAMGAM
SCHEMBL3569428 0.78 NPC1 (0.71) GAANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5557458 0.77 MEN1 (0.57) NPC1RAB9ASMN1; SMN2RPS6KA2KDM4E
SCHEMBL1663709 0.77 EGFR (0.47) GAAMGAMSIMGAM2NPC1
SCHEMBL4669262 0.77 NPC1 (0.57) GAANPC1LMNARAB9ASMN1; SMN2
SCHEMBL5894380 0.76 GRIK1 (0.53) GAANPC1LMNARAB9ASMN1; SMN2
SCHEMBL1416715 0.76 RPS6KA2 (0.47) GAANPC1LMNARAB9ASMN1; SMN2
SCHEMBL9269321 0.76 GRIK1 (0.56) GAANPC1LMNARAB9ASMN1; SMN2
SCHEMBL13801599 0.75 NPC1 (0.50) NPC1RAB9ARPS6KA2KDM4EALDH1A1

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-2039683-B1 Vasculostatic agents and methods of use thereof TARGEGEN INC (US) 2012-12-19 EP disclosed
EP-2039683-A2 Vasculostatic agents and methods of use thereof Targegen, Inc. (US) 2009-03-25 EP disclosed
CN-1720224-A Vascular balancing agents and methods of use thereof TARGEGEN INC (US) 2006-01-11 CN disclosed