SCHEMBL2829161

SCHEMBL2829161

CNc1scnc1OC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 5/20 0.49
HTT P42858 3/20 0.49
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
MAPT P10636 7/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GRM4 Q14833 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL2830058 0.89 LMNA (0.50) HPGDALOX15LMNAHTTMEN1
SCHEMBL2829084 0.88 HPGD (0.48) HPGDALOX15LMNAHTTMEN1
SCHEMBL2827687 0.87 MEN1 (0.49) HPGDALOX15LMNAHTTMEN1
SCHEMBL2832974 0.86 ALDH1A1 (0.52) ALOX15LMNAHTTMEN1KMT2A
SCHEMBL2827996 0.85 KMT2A (0.47) HPGDALOX15LMNAMEN1KMT2A
SCHEMBL2830000 0.85 NPC1 (0.47) HPGDLMNAMEN1KMT2AMAPT
SCHEMBL2826420 0.85 LMNA (0.47) HPGDALOX15LMNAHTTMEN1
SCHEMBL2832758 0.84 ALDH1A1 (0.47) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2826665 0.84 HPGD (0.50) HPGDALOX15LMNAHTTMEN1
SCHEMBL2826660 0.84 LMNA (0.46) HPGDALOX15LMNAHTTMEN1

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