SCHEMBL6049079

SCHEMBL6049079

CC(=O)OCc1csc(NC2CCN(C(=O)O)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL3900560 0.86 ALDH1A1 (0.47) ENPP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3900556 0.84 NPC1 (0.38) ENPP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3911208 0.83 ITGB3 (0.42) ENPP2NPC1RAB9AMEN1LMNA
SCHEMBL3900029 0.78 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL3911221 0.77 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL3933899 0.72 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL13938567 0.71 NOS2 (0.55) ENPP2MAPTGAAMEN1LMNA
SCHEMBL27815401 0.69 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL998689 0.68 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL3449454 0.67 MEN1 (0.46) NPC1SMN1; SMN2MAPTGAAMEN1

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-1669352-A1 THIAZOLINE DERIVATIVE AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2006-06-14 EP disclosed