SCHEMBL2826665

SCHEMBL2826665

CC(C)CNc1scnc1OC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 6/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 8/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRM4 Q14833 1/20 0.42

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
SCHEMBL2827571 0.88 LMNA (0.47) HPGDALOX15RAB9ALMNAHTT
SCHEMBL2828853 0.88 KMT2A (0.43) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2828820 0.87 KMT2A (0.42) HPGDRAB9AMAPK1MEN1KMT2A
SCHEMBL2831279 0.87 RAB9A (0.41) HPGDRAB9ALMNAHTTMEN1
SCHEMBL2829161 0.84 HPGD (0.50) HPGDALOX15RAB9ALMNAHTT
SCHEMBL2830058 0.83 LMNA (0.50) HPGDALOX15RAB9ALMNAHTT
SCHEMBL2830232 0.83 MEN1 (0.47) HPGDRAB9ALMNAHTTMEN1
SCHEMBL2828787 0.82 MAPT (0.47) HPGDALOX15RAB9ALMNAHTT
SCHEMBL2829084 0.82 HPGD (0.48) HPGDALOX15RAB9ALMNAHTT
SCHEMBL2826533 0.82 ALDH1A1 (0.39) HPGDRAB9AMEN1KMT2AMAPT

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