SCHEMBL1652807

SCHEMBL1652807

O=S(=O)(c1nc2ccc(Cl)cc2[nH]1)N1CCN(Cc2cc3cnccc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.51
F2 P00734 2/20 0.51
LSS P48449 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDR P35968 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4387431 0.87 F10 (0.69) F10F2
SCHEMBL1654883 0.83 DRD4 (0.47) F10F2MAPTHSD17B10ALDH1A1
SCHEMBL1653577 0.77 F10 (0.77) F10F2
SCHEMBL1652823 0.74 F10 (0.67) F10F2
SCHEMBL4395182 0.74 F10 (0.60) F10F2KMT2ADRD4
SCHEMBL1385885 0.71 F10 (0.56) F10F2DRD2DRD4DRD3
SCHEMBL1652907 0.71 F10 (0.61) F10F2DRD2DRD4DRD3
SCHEMBL6421218 0.70 F10 (0.51) F10LSSMEN1KMT2AALDH1A1
SCHEMBL6734491 0.70 ALDH1A1 (0.46) F10KMT2AALDH1A1LMNA
SCHEMBL6731532 0.70 ALDH1A1 (0.46) F10KMT2AALDH1A1LMNA

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 5 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