SCHEMBL389014

SCHEMBL389014

CCOC(=O)c1cc2ccccc2n1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 6/20 0.61
NOD1 Q9Y239 6/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
DAO P14920 1/20 0.58
F10 P00742 2/20 0.54
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
MCL1 Q07820 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1092502 0.84 KDM4E (0.62) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL3651263 0.84 NOD2 (0.65) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL6988991 0.83 NOD2 (0.71) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL3259707 0.83 NOD2 (0.71) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL4791517 0.83 NOD2 (0.60) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL4740839 0.83 NOD2 (0.60) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL1585615 0.83 NOD2 (0.60) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL7884242 0.82 DAO (0.64) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL28665557 0.82 NOD2 (0.70) NOD2NOD1MEN1KMT2AKDM4E
SCHEMBL28669136 0.82 NOD2 (0.70) NOD2NOD1MEN1KMT2AKDM4E

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
EP-2408761-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2012-01-25 EP disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed