SCHEMBL14293198

SCHEMBL14293198

Cc1nn(C)cc1CNC(=O)OC1CCc2c(sc(NC(=O)/C=C/c3cccnc3)c2N)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
NAMPT P43490 5/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TNF P01375 2/20 0.35
NOD1 Q9Y239 2/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL1207624 0.90 PTPN5 (0.39) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL12882696 0.90 PTPN5 (0.39) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL14292360 0.87 MAPT (0.38) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL14293177 0.87 MAPT (0.38) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL14292358 0.87 MAPT (0.39) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL14293196 0.86 MAPT (0.39) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL14292384 0.86 POLB (0.49) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL14292923 0.86 MAPT (0.42) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL14293167 0.86 MAPT (0.39) MAPTKMT2AALDH1A1NPSR1HPGD
SCHEMBL14293168 0.86 MAPT (0.39) MAPTKMT2AALDH1A1NPSR1HPGD

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-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed