SCHEMBL3353218

SCHEMBL3353218

CCOC(=O)c1ccc2ncn(CCN3CCCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PTGER4 P35408 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MCHR1 Q99705 1/20 0.46
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
HDAC1 Q13547 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 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
SCHEMBL3430045 0.88 SMN1; SMN2 (0.50) MEN1KMT2AKDM4EMAPK1MCHR1
SCHEMBL30782239 0.83 KDM2B (0.51) HSD17B10MCHR1HPGDHDAC1F10
SCHEMBL9039147 0.82 NPC1 (0.50) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL29738011 0.82 MEN1 (0.54) MEN1KMT2APTGER4NPC1RAB9A
SCHEMBL6799725 0.81 NPC1 (0.49) KCNH2HRH3NPC1RAB9AKDM4E
SCHEMBL25998805 0.81 SIRT2 (0.49) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL4916141 0.81 NPC1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL24233569 0.80 ALDH1A1 (0.54) MEN1KMT2AKDM4EMAPK1HSD17B10
SCHEMBL24075008 0.79 HPGD (0.49) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL17678353 0.78 TSHR (0.48) KCNH2HRH3HSD17B10MCHR1TSHR

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed