SCHEMBL11204009

SCHEMBL11204009

Cc1csc2nc(N3CCN(C=O)CC3)nc(NCCO)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 3/20 0.39
USP2 O75604 2/20 0.39
LMNA P02545 1/20 0.39
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
GBA1 P04062 4/20 0.37
ESR1 P03372 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
GLA P06280 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL11217766 0.89 HCRTR1 (0.37) KDM4EALDH1A1HRH4ESR1CTNNB1
SCHEMBL11197619 0.88 KDM4E (0.35) KDM4EALDH1A1LMNAHRH4ESR1
SCHEMBL11203658 0.88 KDM4E (0.37) KDM4EALDH1A1ALOX15USP2LMNA
SCHEMBL11200451 0.88 LMNA (0.38) KDM4EALDH1A1LMNAHRH4ESR1
SCHEMBL11201137 0.87 ESR1 (0.39) KDM4EALDH1A1ALOX15USP2LMNA
SCHEMBL11207434 0.86 KDM4E (0.38) KDM4EALDH1A1ESR1CTNNB1TCF7L2
SCHEMBL11203861 0.85 P2RX3 (0.41) KDM4EALDH1A1ALOX15USP2LMNA
SCHEMBL11200422 0.85 KDM4E (0.41) KDM4EALDH1A1ALOX15USP2LMNA
SCHEMBL11198545 0.84 HRH4 (0.42) KDM4EALDH1A1LMNAHTR3AHRH4
SCHEMBL11197538 0.84 PRKCI (0.41) KDM4EALDH1A1ALOX15USP2LMNA

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