SCHEMBL9704867

SCHEMBL9704867

CCOC(=O)[C@@H](C(=S)NCc1ccccc1C)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ASAH1 Q13510 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL9703141 1.00 KMT2A (0.47) KMT2AGAAMEN1SMN1; SMN2EPHX2
SCHEMBL9703137 1.00 KMT2A (0.47) KMT2AGAAMEN1SMN1; SMN2EPHX2
SCHEMBL9703145 0.87 SMN1; SMN2 (0.54) KMT2AGAAMEN1SMN1; SMN2KDM4E
SCHEMBL9703922 0.86 MEN1 (0.49) KMT2AGAAMEN1SMN1; SMN2EPHX2
SCHEMBL9702695 0.86 ALDH1A1 (0.49) KMT2AGAAMEN1SMN1; SMN2HPGD
SCHEMBL9702851 0.83 SMN1; SMN2 (0.51) KMT2AGAAMEN1SMN1; SMN2KDM4E
SCHEMBL9703901 0.82 SMN1; SMN2 (0.54) KMT2AGAAMEN1SMN1; SMN2KDM4E
SCHEMBL9702676 0.81 SMN1; SMN2 (0.48) KMT2AGAAMEN1SMN1; SMN2KDM4E
SCHEMBL9704884 0.81 SMN1; SMN2 (0.48) KMT2AGAAMEN1SMN1; SMN2KDM4E
SCHEMBL9702660 0.79 SMN1; SMN2 (0.51) KMT2AGAAMEN1SMN1; SMN2KDM4E

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