SCHEMBL6664560

SCHEMBL6664560

CCS(=O)(=O)c1cccc(-c2cccc3oc(-c4ccc(OC)c(N)c4)nc23)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
AHR P35869 1/20 0.41
UTRN P46939 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
FLT1 P17948 8/20 0.40
FLT4 P35916 8/20 0.40
KDR P35968 8/20 0.40
NPC1 O15118 1/20 0.39
TOP2A P11388 1/20 0.39
PTGS2 P35354 1/20 0.37
RIPK2 O43353 1/20 0.37
NOD2 Q9HC29 1/20 0.37
BRD4 O60885 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5834685 0.75 UTRN (0.55) CYP1A2AHRUTRNHDAC6NPC1
SCHEMBL16459106 0.71 UTRN (0.64) CYP1A2AHRUTRNHDAC6PTGS2
SCHEMBL759091 0.69 NPC1 (0.77) NPC1PTGS2MEN1KMT2A
SCHEMBL5834986 0.69 RAB9A (0.56) NPC1TOP2AMEN1KMT2A
SCHEMBL6664344 0.69 MAPT (0.45) NPC1TOP2APTGS2MEN1KMT2A
SCHEMBL5835069 0.69 NPC1 (0.56) NPC1PTGS2
SCHEMBL588928 0.68 CA1 (0.61) CA1CA2BRD4MEN1KMT2A
SCHEMBL5834845 0.67 PTGS2 (0.53) UTRNNPC1PTGS2
SCHEMBL31154071 0.67 NPC1 (0.50) NPC1PTGS2MEN1KMT2A
SCHEMBL5834493 0.66 NPC1 (0.59) HDAC6KDRNPC1PTGS2MEN1

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-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 WO disclosed