SCHEMBL4041950

SCHEMBL4041950

CCC(CCc1sc2c(c1C#N)CCC(NCc1cnc(-c3ccccc3)s1)C2)CNC(=O)c1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
ALDH1A1 P00352 7/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GCGR P47871 1/20 0.34
GAA P10253 2/20 0.32
KCNH2 Q12809 1/20 0.32
HPGD P15428 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALOX12 P18054 1/20 0.31
THRB P10828 1/20 0.30
PDCD1 Q15116 2/20 0.30

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
SCHEMBL4037334 0.89 NPSR1 (0.36) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4038178 0.87 GCGR (0.46) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4038702 0.84 MAPT (0.38) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4045769 0.84 TP53 (0.35) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4043069 0.82 GCGR (0.43) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4046896 0.80 GCGR (0.37) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4045782 0.80 MAPT (0.36) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4037934 0.79 GCGR (0.46) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4042505 0.76 ALDH1A1 (0.40) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4039316 0.76 GCGR (0.59) MAPTNPSR1SAE1UBA2ALDH1A1

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
EP-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 EP claimed