SCHEMBL2828993

SCHEMBL2828993

Cc1ccccc1Nc1scnc1OC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
XBP1 P17861 1/20 0.48
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM4 Q14833 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DDX3X O00571 1/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL2827687 0.87 MEN1 (0.49) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL2830058 0.87 LMNA (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2829161 0.83 HPGD (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2826420 0.83 LMNA (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2829476 0.82 AKR1C3 (0.48) MAPTMEN1KMT2ASMN1; SMN2XBP1
SCHEMBL2829084 0.81 HPGD (0.48) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2829497 0.80 LMNA (0.49) MAPTMEN1KMT2ASMN1; SMN2XBP1
SCHEMBL2826660 0.80 LMNA (0.46) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL2830110 0.79 RAB9A (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2828556 0.78 MAOB (0.46) MAPTGAAMEN1KMT2ANPC1

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-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed