SCHEMBL6821797

SCHEMBL6821797

O=C(Cl)c1c(Cc2cccc(Cl)c2)cc[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
EGFR P00533 3/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
DAO P14920 4/20 0.45
PNP P00491 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
PDE5A O76074 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6822381 0.89 EGFR (0.49) MAPTMAPK1EGFRPDE3BPDE3A
SCHEMBL6821792 0.84 CYP1A2 (0.43) EGFRPNPKMT2AMEN1SMN1; SMN2
SCHEMBL6818415 0.82 DAO (0.47) MAPTDAOKMT2AMEN1GAA
SCHEMBL6821810 0.73 DAO (0.41) DAOALDH1A1KDM4E
SCHEMBL11362552 0.73 MAPT (0.43) MAPTMAPK1PDE3BPDE3ADAO
SCHEMBL6821801 0.72 CYP1A2 (0.45) KMT2AMEN1SMN1; SMN2
SCHEMBL6821850 0.70 DAO (0.48) MAPTDAOKMT2AMEN1
SCHEMBL9166149 0.69 DPYD (0.60)
SCHEMBL4381378 0.69 DAO (0.40) DAOALDH1A1
SCHEMBL3655981 0.69 EGFR (0.77) MAPTEGFRDAOKMT2AMEN1

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-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO disclosed