SCHEMBL6822381

SCHEMBL6822381

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
DAO P14920 3/20 0.45
PDE5A O76074 3/20 0.45
PNP P00491 1/20 0.44
CTBP2 P56545 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL6821797 0.89 MAPT (0.47) EGFRMAPTMAPK1HCAR2PDE3B
SCHEMBL6821801 0.84 CYP1A2 (0.45)
SCHEMBL6821850 0.81 DAO (0.48) MAPTDAODHODH
SCHEMBL4381378 0.80 DAO (0.40) DAORXRAKDM5B
SCHEMBL3655981 0.76 EGFR (0.77) EGFRMAPTDAO
SCHEMBL6821792 0.76 CYP1A2 (0.43) EGFRPNP
SCHEMBL4427278 0.74 PDE3B (0.40) PDE3BPDE3ARXRARXRB
SCHEMBL28228782 0.74 MAPT (0.40) MAPTHCAR2DAO
SCHEMBL11362552 0.73 MAPT (0.43) MAPTMAPK1HCAR2PDE3BPDE3A
SCHEMBL6818415 0.72 DAO (0.47) MAPTDAO

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