SCHEMBL7071013

SCHEMBL7071013

COC(=O)c1nc(C)sc1-c1cccc(OCCCCN(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 2/20 0.45
CHEK2 O96017 1/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PKN2 Q16513 1/20 0.42
PIM3 Q86V86 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL7160562 0.97 HCRTR1 (0.48) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL7074887 0.90 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL7160789 0.89 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2HCRTR1HCRTR2
SCHEMBL7128610 0.87 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2HCRTR1HCRTR2
SCHEMBL7076404 0.86 KDM4E (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2HCRTR1
SCHEMBL7135775 0.86 HCRTR1 (0.52) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL2923794 0.86 POLQ (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2HCRTR1
SCHEMBL12749954 0.82 MAOB (0.48) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL269345 0.81 KDM4E (0.52) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL2929470 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4ESMN1; SMN2HCRTR1

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-2003051368-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-06-26 WO disclosed