SCHEMBL8669805

SCHEMBL8669805

COCCCOc1ccnc(C[S+]([O-])n2cnc3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ SMN1; SMN2 Q16637 7/20 0.38
▸ LMNA P02545 6/20 0.38
▸ TSHR P16473 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ LNPEP Q9UIQ6 1/20 0.37
▸ HTT P42858 5/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FGFR1 P11362 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ AR P10275 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8669942 0.98 LMNA (0.40) GRM4MKNK1MKNK2SMN1; SMN2LMNA
SCHEMBL8435845 0.80 CYP2C9 (0.37) LMNATSHRHTTMAPTHPGD
SCHEMBL5943999 0.78 MAPT (0.45) MKNK1MKNK2SMN1; SMN2LMNAHTT
SCHEMBL630973 0.77 POLB (0.43) MKNK1MKNK2SMN1; SMN2LMNATSHR
SCHEMBL27561186 0.76 POLB (0.42) MKNK1MKNK2SMN1; SMN2LMNATSHR
SCHEMBL5448791 0.72 MAPT (0.40) MKNK1MKNK2SMN1; SMN2LMNATSHR
SCHEMBL9560914 0.72 TDP1 (0.46) SMN1; SMN2LMNATSHRALOX15HTT
SCHEMBL8502624 0.72 NOS1 (0.47) SMN1; SMN2LMNALNPEPHTTMEN1
SCHEMBL636638 0.70 CYP11B1 (0.50) SMN1; SMN2LMNATSHRALOX15HTT
SCHEMBL8669816 0.70 AR (0.38) GRM4SMN1; SMN2LMNATSHRHTT

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
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 — — US disclosed
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