SCHEMBL3372955

SCHEMBL3372955

O=C(Cn1c(OC(=O)Nc2ccc(N3CCOCC3=O)cc2)nc2ccccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.50
BCHE P06276 1/20 0.43
TNKS O95271 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 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
SCHEMBL3371388 0.90 F10 (0.51) F10KDM4EMEN1ALDH1A1LMNA
SCHEMBL1378964 0.87 F10 (0.66) F10BCHETNKSPTGS2
SCHEMBL3368156 0.87 F10 (0.50) F10KDM4EMEN1ALDH1A1LMNA
SCHEMBL3370292 0.85 F10 (0.49) F10PTGS2
SCHEMBL4417487 0.82 F10 (0.49) F10PTGS2
SCHEMBL3373371 0.82 F10 (0.56) F10KDM4EMEN1ALDH1A1LMNA
SCHEMBL3372771 0.82 F10 (0.51) F10KDM4EMEN1ALDH1A1LMNA
SCHEMBL3369686 0.80 F10 (0.76) F10KDM4EMEN1ALDH1A1LMNA
SCHEMBL3369053 0.80 F10 (0.57) F10KDM4EMEN1ALDH1A1LMNA
SCHEMBL3372855 0.78 F10 (0.50) F10PTGS2

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-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed