SCHEMBL6818285

SCHEMBL6818285

COC(=O)Cc1ccc2oc(-c3ccc(N)cc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.67
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 5/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 8/20 0.65
MAPT P10636 5/20 0.65
TP53 P04637 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
HSD17B10 Q99714 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
NFKB1 P19838 2/20 0.65
NFKB2 Q00653 2/20 0.65
RELA Q04206 2/20 0.65
HPGD P15428 2/20 0.65
GFER P55789 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
HPSE Q9Y251 6/20 0.57
POLB P06746 1/20 0.54
CASP3 P42574 1/20 0.54

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
SCHEMBL6821837 0.88 NPC1 (0.67) NPC1KDM4EALDH1A1MAPK1RAB9A
SCHEMBL6818279 0.87 KDM4E (0.70) NPC1KDM4EALDH1A1MAPK1RAB9A
SCHEMBL14581704 0.87 KDM4E (0.66) NPC1KDM4EALDH1A1MAPK1RAB9A
SCHEMBL6821781 0.86 NPC1 (0.62) NPC1KDM4EALDH1A1MAPK1RAB9A
SCHEMBL6822259 0.85 KDM4E (0.61) NPC1KDM4EALDH1A1MAPK1RAB9A
SCHEMBL6821845 0.85 KDM4E (0.61) NPC1KDM4EALDH1A1MAPK1RAB9A
SCHEMBL5461475 0.85 HPSE (0.72) NPC1KDM4EALDH1A1RAB9AMAPT
SCHEMBL6821886 0.84 NPC1 (0.62) NPC1KDM4EALDH1A1MAPK1RAB9A
Methane SCHEMBL5476423 0.84 HPSE (0.70) NPC1KDM4EALDH1A1RAB9AMAPT
SCHEMBL6818596 0.83 MAPT (0.56) NPC1KDM4EALDH1A1MAPK1RAB9A

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
WO-2018177857-A1 SYMMETRICAL 2-AMINOPHENYL-BENZAZOLYL-5-ACETATE COMPOUNDS AND THEIR USE AS ANTI-HEPARANASE LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
EP-3381907-A1 SYMMETRICAL 2-AMINOPHENYL-BENZAZOLYL-5-ACETATE COMPOUNDS AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
WO-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed