SCHEMBL4947837

SCHEMBL4947837

CC1(CNC(=O)c2ccc(Cl)s2)CC(c2ccc(N=CNC(=O)C3CCNCC3)cc2)=NO1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.32
HDAC2 Q92769 2/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
F2 P00734 1/20 0.30
MAPK1 P28482 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL1097033 0.81 F10 (0.35) F10F2
SCHEMBL1097031 0.81 F10 (0.35) F10F2
SCHEMBL1096402 0.78 KDM4E (0.43) F10KDM4ELMNAMAPK1
SCHEMBL1100907 0.78 ITGB1 (0.41) F10KDM4ELMNASMN1; SMN2MAPK1
SCHEMBL1095756 0.77 F10 (0.45) F10SMN1; SMN2F2
SCHEMBL1095757 0.77 F10 (0.45) F10SMN1; SMN2F2
SCHEMBL1095197 0.77 KDM4E (0.46) F10KDM4ELMNAMAPK1
SCHEMBL1096175 0.75 KDM4E (0.44) KDM4ELMNASMN1; SMN2MAPK1HDAC3
SCHEMBL1097081 0.74 KDM4E (0.40) F10KDM4ELMNAMAPK1
SCHEMBL1097037 0.73 F10 (0.35) F10KDM4ESMN1; SMN2F2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed