SCHEMBL9704884

SCHEMBL9704884

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP8 P22894 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.37
TP53 P04637 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
SCHEMBL9702851 0.89 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL9703145 0.88 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL9703901 0.83 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL9703922 0.82 MEN1 (0.49) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL9702695 0.82 ALDH1A1 (0.49) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL9702676 0.81 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL9704867 0.81 KMT2A (0.47) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL9703137 0.81 KMT2A (0.47) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL9703141 0.81 KMT2A (0.47) SMN1; SMN2KMT2AMEN1GAAALDH1A1
SCHEMBL9702660 0.80 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AMEN1GAAALDH1A1

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 3 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