SCHEMBL14217569

SCHEMBL14217569

N#Cc1c(NC(=O)c2cccnc2)sc2c1CCN(C(=O)CCCF)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
LMNA P02545 4/20 0.61
GAA P10253 1/20 0.61
ALDH1A1 P00352 7/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
STAT3 P40763 5/20 0.51
MAPK10 P53779 3/20 0.51
MAPK9 P45984 1/20 0.51
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
HSD17B10 Q99714 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GRM1 Q13255 3/20 0.48
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3993933 0.90 MAPT (0.64) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3931598 0.85 MAPT (0.69) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3920972 0.85 MEN1 (0.70) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3931603 0.84 MAPT (0.68) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3423881 0.84 MAPT (0.56) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3919729 0.83 ALDH1A1 (0.65) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL4507527 0.82 MAPT (0.62) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3432855 0.82 MEN1 (0.58) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3423868 0.82 ALDH1A1 (0.60) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3921486 0.81 MAPT (0.62) MAPTLMNAGAAALDH1A1MEN1

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-1756118-B1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2008-05-28 EP disclosed