SCHEMBL9702676

SCHEMBL9702676

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 8/20 0.42
HTT P42858 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PTBP1 P26599 1/20 0.41
OPRK1 P41145 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
MMP8 P22894 1/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 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 0.88 SMN1; SMN2 (0.54) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9703934 0.87 ALDH1A1 (0.41) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9702851 0.84 SMN1; SMN2 (0.51) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9703901 0.83 SMN1; SMN2 (0.54) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9702695 0.82 ALDH1A1 (0.49) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9703922 0.82 MEN1 (0.49) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9702660 0.82 SMN1; SMN2 (0.51) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9704884 0.81 SMN1; SMN2 (0.48) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL9703962 0.81 TRPV1 (0.42) ALDH1A1
SCHEMBL9703972 0.81 TRPV1 (0.42) ALDH1A1

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