SCHEMBL25845296

SCHEMBL25845296

CC1(C)CN(c2ccc(O)cc2)C1=O

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.81
RAB9A P51151 2/20 0.81
L3MBTL1 Q9Y468 3/20 0.67
GAA P10253 2/20 0.64
POLB P06746 1/20 0.61
ALDH1A1 P00352 2/20 0.51
NSD2 O96028 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.40
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MGLL Q99685 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.37
GRM5 P41594 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
SCHEMBL1208088 0.82 SMN1; SMN2 (0.84) SMN1; SMN2RAB9AL3MBTL1GAAPOLB
SCHEMBL12584934 0.82 SMN1; SMN2 (0.84) SMN1; SMN2RAB9AL3MBTL1GAAPOLB
SCHEMBL5256770 0.81 RAB9A (0.53) SMN1; SMN2RAB9AL3MBTL1GAAPOLB
SCHEMBL8790936 0.81 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AL3MBTL1GAAPOLB
SCHEMBL13932030 0.81 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AL3MBTL1GAAPOLB
SCHEMBL8791216 0.81 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AL3MBTL1GAAPOLB
SCHEMBL14003534 0.80 L3MBTL1 (1.00) SMN1; SMN2RAB9AL3MBTL1GAAPOLB
SCHEMBL8791412 0.78 RAB9A (0.75) SMN1; SMN2RAB9AL3MBTL1GAAPOLB
SCHEMBL8299157 0.78 GAA (1.00) SMN1; SMN2RAB9AL3MBTL1GAAPOLB
SCHEMBL1208101 0.77 SMN1; SMN2 (0.72) SMN1; SMN2RAB9AL3MBTL1GAAPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122212-A2 SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed