SCHEMBL3706580

SCHEMBL3706580

CCOC(=O)Cc1ccccc1Sc1ccc(-c2onc(C)c2N(C(=O)OCC)c2ccccc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.36
MMP9 P14780 4/20 0.36
MMP12 P39900 4/20 0.36
MMP14 P50281 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34
SLC26A6 Q9BXS9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3704746 0.93 MMP2 (0.44) MMP2MMP9MMP12MMP14TP53
SCHEMBL3703091 0.89 KDM4E (0.36) TP53MAPTSLC26A6KDM4EKMT2A
SCHEMBL3701871 0.87 KDM4E (0.34) TP53MAPTKDM4EKMT2APOLB
SCHEMBL2335475 0.84 KDM4E (0.39) TP53MAPTSLC26A6KDM4EKMT2A
SCHEMBL3702315 0.84 LPAR1 (0.40) TP53MAPTSLC26A6KDM4EPOLB
SCHEMBL3715778 0.83 KDM4E (0.38) TP53MAPTKDM4EKMT2APOLB
SCHEMBL3706560 0.82 KDM4E (0.36) TP53MAPTKDM4EPOLBNPSR1
SCHEMBL3702204 0.81 TP53 (0.38) TP53MAPTKDM4EKMT2AHPGD
SCHEMBL3708489 0.80 TP53 (0.35) TP53MAPTSLC26A6KDM4EKMT2A
SCHEMBL3705660 0.80 SYK (0.35) TP53KDM4EKMT2APOLBMEN1

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