SCHEMBL11220134

SCHEMBL11220134

CCN(CC)c1nc(N2CCN(C=O)CC2)nc2scc(C)c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
HTR2A P28223 1/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KHK P50053 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
SCHEMBL11200670 0.91 KDM4E (0.36) ELANEALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL11200460 0.88 MAPK1 (0.35) ELANEALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL11201461 0.87 KDM4E (0.39) ELANEALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL11205301 0.82 PRKCI (0.43) ELANEHTR2ASMN1; SMN2KHK
SCHEMBL11197939 0.80 HCRTR1 (0.49) ALDH1A1L3MBTL1KDM4EMAPTMAPK1
SCHEMBL11200451 0.80 LMNA (0.38) ELANEALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL11205729 0.78 KDM4E (0.33) ALDH1A1L3MBTL1KDM4EMAPTMAPK1
SCHEMBL11207434 0.78 KDM4E (0.38) ELANEALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL11198545 0.78 HRH4 (0.42) ALDH1A1L3MBTL1KDM4EMAPTMAPK1
SCHEMBL11202884 0.77 HCRTR1 (0.47) ALDH1A1L3MBTL1KDM4EMAPTMAPK1

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