SCHEMBL6819286

SCHEMBL6819286

CCOC(=O)c1onc2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAOB P27338 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 6/20 0.45
TARBP2 Q15633 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
IDE P14735 1/20 0.43
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ELANE P08246 1/20 0.41
ADORA2B P29275 1/20 0.41
ALPL P05186 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
SCHEMBL3635258 0.83 ALDH1A1 (0.49) MAPTTARBP2ALDH1A1SMN1; SMN2GAA
SCHEMBL3639809 0.80 ESR1 (0.46) KDM4EMAPTALOX15TARBP2ALDH1A1
SCHEMBL6818394 0.80 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2TSHRELANE
SCHEMBL25170921 0.79 MAPT (0.39) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6833807 0.78 ALDH1A1 (0.50) KDM4EMAOBMAPTALOX15TARBP2
SCHEMBL25171020 0.77 KDM4E (0.49) KDM4EMAPTTARBP2ALDH1A1HPGD
SCHEMBL25408093 0.75 MAOB (0.55) KDM4EMAOBMAPTALOX15TARBP2
SCHEMBL31435424 0.75 MAOB (0.55) KDM4EMAOBMAPTALOX15TARBP2
SCHEMBL5985145 0.75 ALDH1A1 (0.55) MAPTTARBP2ALDH1A1SMN1; SMN2GAA
SCHEMBL9378824 0.74 KDM4E (0.56) KDM4EMAOBMAPTALOX15TARBP2

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed