SCHEMBL7366801

SCHEMBL7366801

CC(C)(C)OC(=O)C(CN1CCNC(=O)C1)Nc1c(Cl)c(Cl)nc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 8/20 0.33
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
F2 P00734 1/20 0.31
NPR3 P17342 1/20 0.30
FGFR3 P22607 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
SCHEMBL7356318 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1POLBTHRBPDCD1
SCHEMBL5504851 0.75 TSHR (0.39) SMN1; SMN2ALDH1A1POLBTHRBTSHR
SCHEMBL7361998 0.74 TSHR (0.38) SMN1; SMN2ALDH1A1POLBTHRBTSHR
SCHEMBL7364312 0.67 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1POLBTHRBTSHR
SCHEMBL28507628 0.67 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBTHRBTSHR
SCHEMBL13238482 0.65 DRD2 (0.47) ALDH1A1THRBKMT2A
SCHEMBL5549908 0.63 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1POLBTHRBPDCD1
SCHEMBL8501813 0.63 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1POLBPDCD1CD274
SCHEMBL8499683 0.63 L3MBTL1 (0.39) SMN1; SMN2ALDH1A1THRB
SCHEMBL8276616 0.63 TOP2A (0.39) SMN1; SMN2THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed