SCHEMBL9703145

SCHEMBL9703145

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP8 P22894 1/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
BRD4 O60885 1/20 0.39
TOP2A P11388 2/20 0.39
NOS2 P35228 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL9702851 0.91 SMN1; SMN2 (0.51) SMN1; SMN2MEN1GAAKMT2AHTT
SCHEMBL9703901 0.89 SMN1; SMN2 (0.54) SMN1; SMN2MEN1GAAKMT2AHTT
SCHEMBL9702695 0.89 ALDH1A1 (0.49) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL9703922 0.89 MEN1 (0.49) SMN1; SMN2MEN1GAAKMT2ALMNA
SCHEMBL9702676 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MEN1GAAKMT2AHTT
SCHEMBL9704884 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MEN1GAAKMT2AHTT
SCHEMBL9703137 0.87 KMT2A (0.47) SMN1; SMN2MEN1GAAKMT2AHTT
SCHEMBL9704867 0.87 KMT2A (0.47) SMN1; SMN2MEN1GAAKMT2AHTT
SCHEMBL9703141 0.87 KMT2A (0.47) SMN1; SMN2MEN1GAAKMT2AHTT
SCHEMBL9702660 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1GAAKMT2AHTT

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