SCHEMBL3920155

SCHEMBL3920155

COc1ccccc1-c1csc(NC[C@@H](c2ccc([N+](=O)[O-])cc2)c2csc(-c3cccs3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
KDM4E B2RXH2 4/20 0.44
RECQL P46063 3/20 0.44
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 5/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EIF4E P06730 1/20 0.41
BACE1 P56817 1/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL3551815 0.84 PTPRB (0.46) MAPTMEN1KMT2AKDM4ERECQL
SCHEMBL29794284 0.84 PTPRB (0.46) MAPTMEN1KMT2AKDM4ERECQL
SCHEMBL19945956 0.84 PTPRB (0.46) MAPTMEN1KMT2AKDM4ERECQL
SCHEMBL16061091 0.75 MAPT (0.41) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL3926184 0.74 KDM4E (0.41) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL468068 0.74 KDM4E (0.43) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL27940604 0.71 PTPRB (0.45) MAPTMEN1KMT2AKDM4ERECQL
SCHEMBL16079949 0.70 PTPRB (0.46) MAPTMEN1KMT2ARECQLRAB9A
SCHEMBL679649 0.69 PTPRB (0.65)
SCHEMBL686535 0.69 MAPT (0.47) MAPTMEN1KMT2AKDM4ERECQL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2967066-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics Inc. (US) 2016-01-20 EP disclosed
WO-2014145068-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-18 WO disclosed
EP-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed
EP-2038265-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter and Gamble Company (US) 2009-03-25 EP disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed