SCHEMBL3822969

SCHEMBL3822969

c1cc(C2=NCCS2)ccc1OC1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MGLL Q99685 3/20 0.44
MAP4K4 O95819 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX3 P56373 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21664123 0.71 ALDH1A1 (0.47) ALDH1A1MAPTATMRAB9ANPC1
SCHEMBL8378973 0.71 MGLL (0.43) ALDH1A1MAPTATMRAB9ANPC1
SCHEMBL1147751 0.70 LMNA (0.53) ALDH1A1MAPTATMRAB9ANPC1
SCHEMBL22057583 0.70 MAPT (0.47) ALDH1A1MAPTATMRAB9ANPC1
SCHEMBL21663870 0.69 MAPT (0.48) ALDH1A1MAPTATMRAB9ANPC1
SCHEMBL6608784 0.66 NAAA (0.58) MAP4K4SMN1; SMN2TDP1
SCHEMBL6903727 0.63 TDP1 (0.50) ALDH1A1MAPTMAP4K4MEN1KMT2A
SCHEMBL470127 0.61 HRH1 (0.43) ALDH1A1MAPTMAP4K4SMN1; SMN2
SCHEMBL9572108 0.61 EPHX2 (0.57)
SCHEMBL7943168 0.61 HRH1 (0.43) ALDH1A1MAPTMAP4K4SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089397-A1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-08-19 EP disclosed
WO-2008076562-A1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL] -2-PHENYL-5H-THIAZ0L0 [5,4-C] PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-06-26 WO disclosed