SCHEMBL5740565

SCHEMBL5740565

O=C(O)Cc1ncccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
MAPK14 Q16539 1/20 0.55
PPIA P62937 10/20 0.53
CFD P00746 1/20 0.53
SGMS2 Q8NHU3 4/20 0.50
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
BRD4 O60885 1/20 0.47
ALPG P10696 1/20 0.46
PTK2B Q14289 1/20 0.46

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
SCHEMBL18836470 0.87 LTA4H (0.51) LTA4HMAPK14PPIACFDSGMS2
SCHEMBL3946071 0.85 PPIA (0.52) LTA4HMAPK14PPIASGMS2BRD4
SCHEMBL7052623 0.84 PPIA (0.53) LTA4HMAPK14PPIASGMS2
SCHEMBL18836335 0.83 LTA4H (0.48) LTA4HMAPK14PPIACFDSGMS2
SCHEMBL21439550 0.82 PPIA (0.47) LTA4HMAPK14PPIASGMS2BRD4
SCHEMBL1178950 0.82 LTA4H (0.60) LTA4HMAPK14PPIASGMS2ALPG
SCHEMBL28803926 0.81 TBXAS1 (0.54) LTA4HMAPK14PPIASGMS2PTGER1
SCHEMBL8809853 0.81 PPIA (0.51) LTA4HMAPK14PPIASGMS2BRD4
SCHEMBL18859901 0.81 LTA4H (0.46) LTA4HMAPK14PPIACFDSGMS2
SCHEMBL27518122 0.81 KDM4E (0.44) CFD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687506-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2020-08-05 EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 WO disclosed
EP-1664047-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005028476-A1 SUBSTITUTED INDOLIZINE 1,2,3,6,7,8 DERIVATIVES, FGFS INHIBITORS, A METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI-AVENTIS (FR) 2005-03-31 WO disclosed