SCHEMBL6213558

SCHEMBL6213558

COc1ccccc1CNc1nc(C(C)OCC(=O)O)nc2sc3c(c12)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.49
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
KCNH2 Q12809 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PSMD14 O00487 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL6212061 0.89 MAPT (0.44) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6211504 0.89 PDE5A (0.53) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6218405 0.88 MAPT (0.46) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6211516 0.86 MAPT (0.50) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6214705 0.85 KMT2A (0.51) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6213742 0.85 MAPT (0.44) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6214601 0.85 KMT2A (0.62) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6211500 0.84 KMT2A (0.51) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6215108 0.83 PRKCI (0.48) PRKCIMEN1KMT2AMAPTNPSR1
SCHEMBL6215341 0.83 KMT2A (0.41) PRKCIMEN1KMT2AMAPTNPSR1

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