SCHEMBL2831330

SCHEMBL2831330

O=C(Nc1ccccc1)Oc1ncsc1NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
MC4R P32245 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CHRNA7 P36544 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
RAB9A P51151 2/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2830068 0.95 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMC4RALDH1A1TDP1
SCHEMBL2826937 0.87 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1GAARAB9AKMT2A
SCHEMBL2829765 0.86 KMT2A (0.43) SMN1; SMN2LMNAALDH1A1TDP1GAA
SCHEMBL2826660 0.86 LMNA (0.46) SMN1; SMN2LMNAALDH1A1GAAHTT
SCHEMBL2825247 0.86 NPC1 (0.44) SMN1; SMN2LMNAGAAL3MBTL1RAB9A
SCHEMBL2831135 0.83 NPC1 (0.51) SMN1; SMN2ALDH1A1RAB9AKMT2ANPC1
SCHEMBL2829854 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1TDP1HSP90AA1
SCHEMBL2828482 0.82 NPC1 (0.50) SMN1; SMN2GAARAB9AKMT2ANPC1
SCHEMBL2829443 0.82 MEN1 (0.50) LMNAHTTRAB9AKMT2ANPC1
SCHEMBL2828420 0.82 GRK2 (0.44) SMN1; SMN2ALDH1A1TDP1HTTL3MBTL1

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