SCHEMBL3385441

SCHEMBL3385441

NC(c1ccco1)c1ncnc2scc(-c3ccc(F)cc3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FGFR1 P11362 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43

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
SCHEMBL3384958 0.88 HTT (0.55) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3384729 0.85 HTT (0.41) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3387603 0.83 MEN1 (0.48) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL379789 0.82 KDR (0.44) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3387950 0.81 LMNA (0.52) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL5791106 0.77 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL2368674 0.75 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL4502426 0.73 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL3385444 0.72 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2MAPTKDM4E
SCHEMBL2369434 0.71 PIP4K2C (0.35) ALDH1A1LMNASMN1; SMN2MAPTHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 WO disclosed