SCHEMBL11204008

SCHEMBL11204008

Cc1cc2c(N)nc(N3CCN(C=O)CC3)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH4 Q9H3N8 3/20 0.40
HTR3A P46098 2/20 0.40
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL11208744 0.84 KDM4E (0.38) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL11202466 0.84 HTR6 (0.46) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL11200734 0.82 HTR3A (0.41) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL11202798 0.82 HTR6 (0.37) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL11197283 0.81 SMN1; SMN2 (0.46) KDM4EALDH1A1MAPTHRH4ADRA1D
SCHEMBL11206086 0.81 HCRTR1 (0.51) HCRTR1HCRTR2ADRA1DADRA1AADRA1B
SCHEMBL11206717 0.80 KDM4E (0.38) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL11197408 0.80 KDM4E (0.52) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL11205332 0.80 KDM4E (0.39) HCRTR1HCRTR2KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL11206153 0.79 KDM4E (0.51) HCRTR1HCRTR2KDM4EALDH1A1MAPT

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