SCHEMBL13620039

SCHEMBL13620039

COc1ccc(Cc2c(=O)c(C(=O)O)c(O)n3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.46
FEN1 P39748 1/20 0.46
CHRM1 P11229 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
VKORC1 Q9BQB6 1/20 0.41
TP53 P04637 2/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
P2RX4 Q99571 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
PTPN11 Q06124 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
SCHEMBL13620403 0.84 BAZ2B (0.41) KDM4EMAPK1TP53MAPTMEN1
SCHEMBL13662212 0.83 VKORC1 (0.42) CHRM1KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL1127325 0.80 IDO1 (0.35) FEN1CHRM1
SCHEMBL1127254 0.78 ALDH1A1 (0.48) KDM4EMAPK1HTTSMN1; SMN2MAPT
SCHEMBL1128375 0.76 PTGES (0.48) KDM4EMAPK1HTTVKORC1TP53
SCHEMBL1127987 0.75 ALDH1A1 (0.49) KDM4EMAPK1HTTSMN1; SMN2TP53
SCHEMBL1127411 0.73 ALDH1A1 (0.43) KDM4EMAPK1HTTSMN1; SMN2MAPT
SCHEMBL13662302 0.73 IDH1 (0.47) VKORC1TP53MAPTKMT2APOLB
SCHEMBL1127428 0.72 ALDH1A1 (0.45) KDM4EMAPK1HTTSMN1; SMN2MAPT
SCHEMBL1128142 0.72 KDM4E (0.46) KDM4EMAPK1SMN1; SMN2MAPTMEN1

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-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed