SCHEMBL2831279

SCHEMBL2831279

CC(C)CNc1scnc1OC(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
GRM5 P41594 2/20 0.38

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) RAB9AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL2828853 0.88 KMT2A (0.43) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2826665 0.87 HPGD (0.50) RAB9AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL2828820 0.87 KMT2A (0.42) RAB9AALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL2832758 0.82 ALDH1A1 (0.47) RAB9AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2830130 0.81 FAAH (0.44) RAB9AALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2826533 0.81 ALDH1A1 (0.39) RAB9AALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL2829854 0.80 SMN1; SMN2 (0.44) RAB9AALDH1A1LMNASMN1; SMN2GAA
SCHEMBL2825994 0.80 CHRNB2 (0.40) RAB9ALMNASMN1; SMN2GAAMEN1
SCHEMBL2827539 0.79 NAMPT (0.45) RAB9AALDH1A1LMNASMN1; SMN2TDP1

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