SCHEMBL4038702

SCHEMBL4038702

CCC(CCc1sc2c(c1C#N)CCC(NCc1ccccc1Cl)C2)CNC(=O)c1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
GCGR P47871 4/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SLC6A5 Q9Y345 3/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX12 P18054 1/20 0.33
OPRM1 P35372 1/20 0.32

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
SCHEMBL4043069 0.93 GCGR (0.43) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4045769 0.90 TP53 (0.35) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4040360 0.86 GCGR (0.49) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4037334 0.84 NPSR1 (0.36) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4041950 0.84 MAPT (0.36) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4046896 0.84 GCGR (0.37) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4045782 0.81 MAPT (0.36) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4037348 0.80 GCGR (0.60) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4035541 0.79 GCGR (0.48) MAPTNPSR1SAE1UBA2ALDH1A1
SCHEMBL4040885 0.79 GCGR (0.50) 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