SCHEMBL11205447

SCHEMBL11205447

CNc1nc(N2CCN(C=O)CC2)nc2sc(C)c(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 8/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR3A P46098 1/20 0.35
PLA2G1B P04054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL11200278 0.85 HRH4 (0.36) HRH4ALDH1A1MAPTMAPK1KDM4E
SCHEMBL11199749 0.85 HRH4 (0.36) HRH4HPGDALDH1A1MAPTMAPK1
SCHEMBL11201110 0.85 HRH4 (0.36) HRH4ALDH1A1MAPTMAPK1KDM4E
SCHEMBL11204593 0.83 ABCB1 (0.43) HPGDALDH1A1MAPTMAPK1TSHR
SCHEMBL11203366 0.80 KHK (0.41) HRH4ALDH1A1MAPTMAPK1TSHR
SCHEMBL11198545 0.80 HRH4 (0.42) HRH4ALDH1A1MAPTMAPK1LMNA
SCHEMBL11209421 0.78 BCL2 (0.34) HRH4ALDH1A1MAPTMAPK1KDM4E
SCHEMBL11201322 0.78 MEN1 (0.43) HPGDALDH1A1MAPTMAPK1TSHR
SCHEMBL11204627 0.78 MAPT (0.42) HPGDALDH1A1MAPTMAPK1TSHR
SCHEMBL11200734 0.78 HTR3A (0.41) HRH4ALDH1A1MAPTMAPK1KDM4E

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-0082023-A2 Thienopyrimidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1983-06-22 EP disclosed