SCHEMBL6991634

SCHEMBL6991634

Cc1nc(-c2cccc(NC3(OC(=O)Nc4ccc(-c5ccccc5)c(S(N)(=O)=O)c4)CCSCC3)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TP53 P04637 5/20 0.42
POLB P06746 2/20 0.42
CA2 P00918 1/20 0.40
HAVCR2 Q8TDQ0 4/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNA7 P36544 1/20 0.36
HTR1D P28221 2/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL6988332 0.92 MAPT (0.41) MAPTTP53POLBCA2HAVCR2
SCHEMBL6991496 0.91 MAPT (0.41) MAPTTP53POLBCA2HAVCR2
SCHEMBL7079022 0.89 MAPT (0.46) MAPTTP53POLBCA2LMNA
SCHEMBL7082187 0.83 MAPT (0.45) MAPTTP53POLBCA2LMNA
SCHEMBL7084211 0.82 MAPT (0.45) MAPTTP53POLBCA2LMNA
SCHEMBL7084320 0.82 MAPT (0.44) MAPTTP53POLBCA2LMNA
SCHEMBL7079028 0.82 F10 (0.47) MAPTTP53POLBCA2F10
SCHEMBL7076919 0.81 MAPT (0.43) MAPTTP53POLBCA2HAVCR2
SCHEMBL6991506 0.81 MAPT (0.50) MAPTTP53POLBHAVCR2LMNA
SCHEMBL7133483 0.77 TP53 (0.48) MAPTTP53POLBCA2HAVCR2

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-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 WO disclosed