SCHEMBL4382579

SCHEMBL4382579

COc1ccc2[nH]c(C)cc2c1.COn1cc(C=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.54
ALDH1A1 P00352 6/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
FLT3 P36888 2/20 0.40
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
ITK Q08881 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL672377 0.77 ALDH1A1 (0.62) ALDH1A1POLBL3MBTL1LMNAHPGD
SCHEMBL29826894 0.77 ALDH1A1 (0.62) ALDH1A1POLBL3MBTL1LMNAHPGD
SCHEMBL2006475 0.75 ALDH1A1 (0.75) AXLALDH1A1POLBHPGDMEN1
Formic Acid Methyl Ester SCHEMBL28167664 0.74 AXL (0.81) AXLALDH1A1POLBL3MBTL1LMNA
Formic Acid SCHEMBL28411328 0.74 AXL (0.81) AXLALDH1A1POLBL3MBTL1LMNA
SCHEMBL74023 0.74 AXL (1.00) AXLALDH1A1POLBL3MBTL1LMNA
SCHEMBL30235444 0.74 AXL (1.00) AXLALDH1A1POLBL3MBTL1LMNA
SCHEMBL7066063 0.68 MEN1 (0.59) AXLALDH1A1HPGDMEN1KMT2A
SCHEMBL2731348 0.68 KDM4E (0.58) AXLALDH1A1POLBLMNAHPGD
SCHEMBL12386986 0.66 ALDH1A1 (0.68) ALDH1A1POLBL3MBTL1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed