SCHEMBL11201137

SCHEMBL11201137

CC(C)c1csc2nc(N3CCN(C=O)CC3)nc(NCCO)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 4/20 0.36
ALOX15 P16050 2/20 0.36
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ELANE P08246 2/20 0.34
ALDH1A1 P00352 4/20 0.34
GLA P06280 1/20 0.34
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL11204009 0.87 KDM4E (0.39) ESR1KDM4EALOX15HTR3AHRH4
SCHEMBL11203658 0.86 KDM4E (0.37) KDM4EALOX15HTR3AHRH4ALDH1A1
SCHEMBL11201445 0.85 ESR1 (0.41) ESR1KDM4EALOX15HTR3AHRH4
SCHEMBL11203490 0.80 ELANE (0.36) KDM4EELANEALDH1A1MAPTMAPK1
SCHEMBL11201993 0.79 HCRTR1 (0.37) KDM4EHTR3AHRH4ELANEALDH1A1
SCHEMBL11217766 0.76 HCRTR1 (0.37) ESR1KDM4EHRH4ALDH1A1CTNNB1
SCHEMBL11197619 0.76 KDM4E (0.35) ESR1KDM4EHRH4ELANEALDH1A1
SCHEMBL11201922 0.75 KDM4E (0.38) KDM4EALOX15HTR3AHRH4ALDH1A1
SCHEMBL11200185 0.75 ALDH1A1 (0.39) KDM4EALOX15HTR3AHRH4ALDH1A1
SCHEMBL11201197 0.75 LMNA (0.38) KDM4EALDH1A1LMNACTNNB1TCF7L2

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