SCHEMBL11200451

SCHEMBL11200451

CCNc1nc(N2CCN(C=O)CC2)nc2scc(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
ELANE P08246 1/20 0.32
RAB9A P51151 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NOD2 Q9HC29 1/20 0.32
GGPS1 O95749 1/20 0.32
PLA2G1B P04054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL11197619 0.91 KDM4E (0.35) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL11201197 0.89 LMNA (0.38) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL11204009 0.88 KDM4E (0.39) LMNASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL11217766 0.88 HCRTR1 (0.37) SMN1; SMN2ALDH1A1KDM4EMAPTMAPK1
SCHEMBL11198545 0.87 HRH4 (0.42) LMNAALDH1A1KDM4EMAPTMAPK1
SCHEMBL11207434 0.87 KDM4E (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTMAPK1
SCHEMBL11200259 0.84 KDM4E (0.37) ALDH1A1KDM4EMAPTMAPK1L3MBTL1
SCHEMBL11198016 0.82 PRKCI (0.43) LMNASMN1; SMN2ESR1
Hydrochloric Acid SCHEMBL11204595 0.81 PRKCI (0.43) LMNASMN1; SMN2ESR1
SCHEMBL11201436 0.81 MAPT (0.45) LMNASMN1; SMN2ALDH1A1KDM4EMAPT

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