SCHEMBL9702660

SCHEMBL9702660

CCOC(=O)C(C(=S)Nc1ccccc1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 5/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.46
AURKA O14965 1/20 0.44
NTRK1 P04629 1/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
MMP8 P22894 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MITF O75030 1/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.42

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 0.86 SMN1; SMN2 (0.54) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL9703901 0.86 SMN1; SMN2 (0.54) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL9702167 0.85 SMN1; SMN2 (0.40) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL9703922 0.83 MEN1 (0.49) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9703109 0.83 SMN1; SMN2 (0.49) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL9702851 0.82 SMN1; SMN2 (0.51) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL1162993 0.82 SMN1; SMN2 (0.66) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL9702676 0.82 SMN1; SMN2 (0.48) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL6978954 0.81 MEN1 (0.61) SMN1; SMN2GAAMEN1KMT2ANPC1
SCHEMBL9702695 0.81 ALDH1A1 (0.49) SMN1; SMN2GAAMEN1KMT2ANPC1

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