SCHEMBL4017667

SCHEMBL4017667

Nc1nc(F)nc2[nH]c(Cc3ccc4c(c3)OCO4)nc12.Nc1nc(N)c2nc(CCC=C3COCO3)[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 7/20 0.39
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MPO P05164 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC2A1 P11166 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ADORA1 P30542 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
LTB4R Q15722 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL4017663 1.00 HSP90AB1 (0.39) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL1864503 0.83 HSP90AB1 (0.52) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL4016961 0.81 APOBEC3A (0.32)
SCHEMBL14201605 0.81 MPO (0.47) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL1669717 0.77 HSP90AA1 (0.45) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL1670138 0.75 TP53 (0.41) ALDH1A1HSD17B10MPOSLC2A1ADORA1
SCHEMBL1860896 0.69 HSP90AA1 (0.50) HSP90AB1HSP90AA1ALDH1A1
SCHEMBL1670392 0.69 PDE2A (0.37) HSP90AB1HSP90AA1ALDH1A1HSD17B10MPO
SCHEMBL1864346 0.67 HSP90AA1 (0.50) HSP90AB1HSP90AA1MEN1KMT2A
SCHEMBL1856028 0.67 HSP90AA1 (0.50) HSP90AB1HSP90AA1

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
EP-2074126-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
WO-2008049105-A2 SULFAMOYL-CONTAINING DERIVATIVES AND USES THEREOF WYETH (US) 2008-04-24 WO disclosed