SCHEMBL4740271

SCHEMBL4740271

Cc1nc(C(=O)OC(C)(C)C)c(N)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
HPGD P15428 4/20 0.48
TSHR P16473 4/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 4/20 0.43
GLA P06280 3/20 0.43
HIF1A Q16665 2/20 0.43
THRB P10828 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL28557478 0.85 ALDH1A1 (0.59) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL28544942 0.81 KMT2A (0.59) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL29779736 0.77 CRHBP (0.47) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL4886697 0.73 CRHBP (0.47) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL4884454 0.72 CRHBP (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL15987314 0.71 TSHR (0.61) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7878712 0.71 TSHR (0.58) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL15997829 0.71 NOTUM (0.56) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL17060360 0.70 CCR2 (0.54) MAPTTHRB
SCHEMBL21333196 0.70 LMNA (0.59) MEN1KMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed