SCHEMBL6211516

SCHEMBL6211516

COc1ccc(CNc2nc(C(C)OCC(=O)O)nc3sc4c(c23)CCCC4)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PRKCI P41743 2/20 0.47
POLB P06746 1/20 0.44
PDE5A O76074 1/20 0.44
PTGS2 P35354 5/20 0.44
CDKN1A P38936 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
KCNH2 Q12809 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41

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
SCHEMBL6211504 0.92 PDE5A (0.53) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6214601 0.91 KMT2A (0.62) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6214705 0.90 KMT2A (0.51) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6211500 0.90 KMT2A (0.51) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6218405 0.89 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6213742 0.87 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6213558 0.86 PRKCI (0.49) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6214813 0.86 HTT (0.46) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6217377 0.85 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6796696 0.84 PTPN12 (0.48) MAPTMEN1KMT2ASMN1; SMN2HTT

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-1351962-B1 THIENOPYRIMIDINE MERCK PATENT GMBH (DE) 2005-03-16 EP disclosed