SCHEMBL20515142

SCHEMBL20515142

O=C(O)Cc1ccc2oc(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(CC(=O)O)ccc6o5)cc4)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 18/20 1.00
NPC1 O15118 1/20 0.64
POLB P06746 1/20 0.64
CASP3 P42574 1/20 0.64
RAB9A P51151 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL20515131 0.91 HPSE (1.00) HPSENPC1POLBCASP3RAB9A
SCHEMBL20515146 0.87 HPSE (0.77) HPSENPC1RAB9AKDM4E
SCHEMBL507169 0.84 KDM4E (0.77) HPSENPC1POLBCASP3RAB9A
SCHEMBL9820079 0.84 HPSE (0.72) HPSEKDM4E
SCHEMBL11626342 0.84 HPSE (0.72) HPSENPC1POLBCASP3RAB9A
SCHEMBL5461475 0.84 HPSE (0.72) HPSENPC1RAB9AKDM4E
SCHEMBL20515135 0.83 HPSE (1.00) HPSE
SCHEMBL14581706 0.82 HPSE (0.70) HPSENPC1POLBCASP3RAB9A
Methane SCHEMBL505763 0.82 HPSE (0.70) HPSENPC1POLBCASP3RAB9A
Methane SCHEMBL5476423 0.82 HPSE (0.70) HPSENPC1RAB9AKDM4E

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 4 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 claimed
EP-3381907-A1 SYMMETRICAL 2-AMINOPHENYL-BENZAZOLYL-5-ACETATE COMPOUNDS AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP claimed
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