SCHEMBL3705145

SCHEMBL3705145

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(Cc2cccc(CC(=O)OC)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
IP6K2 Q9UHH9 1/20 0.33
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
LPAR1 Q92633 1/20 0.32
SLC7A5 Q01650 1/20 0.32
DHODH Q02127 1/20 0.32
SLC26A6 Q9BXS9 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL3713385 0.92 PLA2G10 (0.38) KDM4ETP53IP6K1IP6K3IP6K2
SCHEMBL3700510 0.90 LPAR1 (0.36) TLR7KDM4EIP6K1IP6K3IP6K2
SCHEMBL3715778 0.89 KDM4E (0.38) KDM4ETP53IP6K1IP6K3IP6K2
SCHEMBL3705375 0.89 TP53 (0.37) KDM4ETP53IP6K1IP6K3IP6K2
SCHEMBL3708489 0.86 TP53 (0.35) TLR7KDM4ETP53USP2POLB
SCHEMBL3712524 0.86 LPAR1 (0.42) KDM4ETP53IP6K1IP6K3IP6K2
SCHEMBL2335475 0.85 KDM4E (0.39) KDM4ETP53USP2POLBMAPT
SCHEMBL3701871 0.83 KDM4E (0.34) KDM4ETP53USP2POLBMAPT
SCHEMBL3714006 0.83 LPAR1 (0.37) KDM4ETP53IP6K1IP6K3IP6K2
SCHEMBL3702204 0.82 TP53 (0.38) KDM4ETP53USP2POLBMAPT

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed