SCHEMBL3708489

SCHEMBL3708489

CCOC(=O)Cc1ccc(F)c(Cc2ccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 3/20 0.33
ALOX15 P16050 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL3714006 0.93 LPAR1 (0.37) TP53KMT2AMEN1KDM4ESLC26A6
SCHEMBL3715778 0.92 KDM4E (0.38) TP53L3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL2335475 0.90 KDM4E (0.39) TP53L3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL3702204 0.86 TP53 (0.38) TP53L3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL3705145 0.86 TLR7 (0.35) TP53SMN1; SMN2NPC1PKMNFKB1
SCHEMBL3703091 0.86 KDM4E (0.36) TP53L3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL3712524 0.85 LPAR1 (0.42) TP53PKMKDM4ESLC26A6POLB
SCHEMBL3713385 0.84 PLA2G10 (0.38) TP53L3MBTL1KDM4EPOLBUSP2
SCHEMBL2341939 0.84 KDM4E (0.35) TP53L3MBTL1SMN1; SMN2NPC1PKM
SCHEMBL3701871 0.84 KDM4E (0.34) TP53L3MBTL1SMN1; SMN2NPC1PKM

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