SCHEMBL8672646

SCHEMBL8672646

COc1ccc2c(c1)nc(-c1nccc(OCCO)c1C)n2[S+](C)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ MET P08581 9/20 0.36
▸ RPS6KA5 O75582 1/20 0.35
▸ RAD51 Q06609 2/20 0.34
▸ MAPK10 P53779 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ CTSD P07339 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
SCHEMBL8550788 0.88 RPS6KA5 (0.37) ALDH1A1SMN1; SMN2TDP1METRPS6KA5
SCHEMBL8668305 0.85 MEN1 (0.34) TDP1
SCHEMBL8548824 0.85 TDP1 (0.35) TDP1METRPS6KA5
SCHEMBL8668983 0.85 MEN1 (0.36) ALDH1A1SMN1; SMN2MAPK10
SCHEMBL8553963 0.85 TDP1 (0.35) TDP1METRPS6KA5
SCHEMBL8672353 0.82 TDP1 (0.40) TLR8ALDH1A1SMN1; SMN2TDP1MET
SCHEMBL8548822 0.81 TDP1 (0.35) TDP1METRPS6KA5CYP3A4
SCHEMBL8550786 0.81 RPS6KA5 (0.36) TDP1METRPS6KA5CYP3A4
SCHEMBL8553961 0.80 TDP1 (0.34) TDP1METRPS6KA5CYP3A4
SCHEMBL8672641 0.78 TLR8 (0.38) TLR8ALDH1A1SMN1; SMN2TDP1MET

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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