SCHEMBL1651503

SCHEMBL1651503

O=C1CN(CC(Nc2ccncc2)C(=O)C=Cc2ccc(Cl)s2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
F10 P00742 3/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TNIK Q9UKE5 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 2/20 0.30
ATM Q13315 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
ENPP2 Q13822 1/20 0.30
F2 P00734 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL1653186 0.80 F10 (0.37) SMN1; SMN2F10ALDH1A1POLBKMT2A
SCHEMBL7356318 0.72 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1POLBKMT2AF2
SCHEMBL1654317 0.70 F10 (0.36) SMN1; SMN2F10ALDH1A1POLB
SCHEMBL7372836 0.69 F10 (0.38) SMN1; SMN2F10ALDH1A1POLBF2
SCHEMBL1652889 0.69 F10 (0.35) SMN1; SMN2F10ALDH1A1POLBKMT2A
SCHEMBL1652229 0.66 F10 (0.42) F10KMT2AATM
SCHEMBL1652988 0.64 F10 (0.41) SMN1; SMN2F10ALDH1A1POLBTNIK
SCHEMBL1651337 0.64 F10 (0.47) SMN1; SMN2F10KMT2AATMF2
SCHEMBL1652813 0.63 TNIK (0.34) SMN1; SMN2F10ALDH1A1POLBTNIK
SCHEMBL1651500 0.63 F10 (0.40) F10ALDH1A1GAAENPP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4676613-B2 2011-04-27 JP claimed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP claimed
JP-2002501024-A 2002-01-15 JP claimed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP claimed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO claimed
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-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed