SCHEMBL211638

SCHEMBL211638

COc1cccc2sc(NC=O)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
MAPT P10636 8/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
GAA P10253 4/20 0.67
DYRK1A Q13627 1/20 0.64
DUSP3 P51452 6/20 0.56
CHRM4 P08173 1/20 0.56
ALDH1A1 P00352 8/20 0.55
HPGD P15428 7/20 0.55
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MAPK1 P28482 2/20 0.55
AGTR1 P30556 1/20 0.55
TDP1 Q9NUW8 6/20 0.55
CYP3A4 P08684 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
TMIGD3 P0DMS9 1/20 0.54

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
SCHEMBL11450570 0.81 MAPT (0.74) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL24928789 0.80 MAPT (0.58) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL2136353 0.80 MAPT (1.00) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL27819183 0.78 CASP3 (0.46) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL20660046 0.78 DYRK1A (0.80) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL3047328 0.78 DYRK1A (0.80) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL15376502 0.78 DYRK1A (1.00) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL3050805 0.77 DYRK1A (0.78) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL3254919 0.77 ALDH1A1 (0.59) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL20659925 0.76 DYRK1A (0.76) KDM4EMAPTMEN1KMT2AGAA

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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed