SCHEMBL11201922

SCHEMBL11201922

CCc1c(C)sc2nc(N3CCN(C=O)CC3)nc(NCCO)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 3/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.35
HTR3A P46098 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PRKCI P41743 2/20 0.34
MAPT P10636 3/20 0.33
GLA P06280 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GBA1 P04062 3/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL11201040 0.89 ALDH1A1 (0.36) KDM4EALDH1A1PRKCIMAPTHPGD
SCHEMBL11199749 0.87 HRH4 (0.36) KDM4EALDH1A1HTR3AHRH4PRKCI
SCHEMBL11200185 0.86 ALDH1A1 (0.39) KDM4EALDH1A1ALOX15USP2LMNA
SCHEMBL11201335 0.86 KDM4E (0.39) KDM4EALDH1A1ALOX15USP2LMNA
SCHEMBL11201865 0.84 ALDH1A1 (0.39) KDM4EALDH1A1ALOX15USP2LMNA
SCHEMBL11203905 0.83 PRKCI (0.35) KDM4EALDH1A1HTR3AHRH4PRKCI
SCHEMBL11203658 0.80 KDM4E (0.37) KDM4EALDH1A1ALOX15USP2LMNA
SCHEMBL11207726 0.80 HPGD (0.31) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL11197420 0.79 KDM4E (0.35) KDM4EALDH1A1LMNAHTR3AHRH4
SCHEMBL11204009 0.79 KDM4E (0.39) 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