SCHEMBL11200670

SCHEMBL11200670

CCCN(CCC)c1nc(N2CCN(C=O)CC2)nc2scc(C)c12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 1/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
PDE5A O76074 1/20 0.30

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
SCHEMBL11220134 0.91 ELANE (0.42) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11200460 0.90 MAPK1 (0.35) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11201461 0.85 KDM4E (0.39) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11215394 0.83 PRKCI (0.42) ELANE
SCHEMBL11205729 0.81 KDM4E (0.33) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11197939 0.78 HCRTR1 (0.49) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11200451 0.78 LMNA (0.38) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11203490 0.77 ELANE (0.36) KDM4EALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL11204206 0.76 HTR2A (0.34) KDM4EALDH1A1MAPK1ELANEHCRTR1
SCHEMBL11207434 0.76 KDM4E (0.38) KDM4EALDH1A1MAPTMAPK1L3MBTL1

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