SCHEMBL9702851

SCHEMBL9702851

CCCNC(=S)C(C(=O)OCC)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MMP8 P22894 1/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 5/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
NOS2 P35228 1/20 0.36

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
SCHEMBL9703145 0.91 SMN1; SMN2 (0.54) SMN1; SMN2GAAMEN1KMT2AMMP8
SCHEMBL9704884 0.89 SMN1; SMN2 (0.48) SMN1; SMN2GAAMEN1KMT2AMMP8
SCHEMBL9703901 0.86 SMN1; SMN2 (0.54) SMN1; SMN2GAAMEN1KMT2AMMP8
SCHEMBL9702695 0.85 ALDH1A1 (0.49) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL9703922 0.85 MEN1 (0.49) SMN1; SMN2GAAMEN1KMT2AMMP8
SCHEMBL9702676 0.84 SMN1; SMN2 (0.48) SMN1; SMN2GAAMEN1KMT2AMMP8
SCHEMBL9703137 0.83 KMT2A (0.47) SMN1; SMN2GAAMEN1KMT2AHTT
SCHEMBL9704867 0.83 KMT2A (0.47) SMN1; SMN2GAAMEN1KMT2AHTT
SCHEMBL9703141 0.83 KMT2A (0.47) SMN1; SMN2GAAMEN1KMT2AHTT
SCHEMBL9702660 0.82 SMN1; SMN2 (0.51) SMN1; SMN2GAAMEN1KMT2AMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738977-A 2-pyridylacetic acid derivatives, pharmaceutical composition containing the same and their use in treating ulcers SUNTORY LIMITED (JP) 1988-04-19 US claimed
EP-0223512-B1 2-PYRIDYLACETIC ACID DERIVATIVE, PREPARATION PROCESS THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUNTORY LIMITED (JP) 1992-07-08 EP disclosed
US-4738977-A 2-pyridylacetic acid derivatives, pharmaceutical composition containing the same and their use in treating ulcers SUNTORY LIMITED (JP) 1988-04-19 US disclosed
EP-0223512-A2 2-Pyridylacetic acid derivative, preparation process thereof and pharmaceutical composition containing the same SUNTORY LIMITED (JP) 1987-05-27 EP disclosed