SCHEMBL5256378

SCHEMBL5256378

COc1ccc(COc2cc3c(C(=O)O)c(-c4ccc(F)cc4)oc3cc2N2CCOCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 14/20 0.66
PRKDC P78527 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
P2RY12 Q9H244 1/20 0.44

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
SCHEMBL2841635 0.91 ANO1 (0.54) ANO1PRKDCKDM4EALDH1A1MAPT
SCHEMBL2839959 0.85 CYP3A4 (0.46) ANO1PRKDC
SCHEMBL2840409 0.85 ANO1 (0.46) ANO1PRKDC
SCHEMBL2842319 0.83 CYP3A4 (0.44) ANO1PRKDCALDH1A1MAPTP2RY12
SCHEMBL2838819 0.83 ANO1 (0.46) ANO1PRKDCLMNAKDM4EALDH1A1
SCHEMBL2841409 0.82 PRKDC (0.48) ANO1PRKDCMAPT
SCHEMBL2856691 0.82 ANO1 (0.42) ANO1PRKDCKDM4EALDH1A1MAPT
SCHEMBL2836708 0.81 ANO1 (0.42) ANO1PRKDCKDM4EALDH1A1HPGD
SCHEMBL2840266 0.80 CYP3A4 (0.46) ANO1PRKDC
SCHEMBL2840261 0.80 PRKDC (0.44) ANO1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP disclosed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP disclosed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO disclosed