SCHEMBL8672844

SCHEMBL8672844

Cc1c(OCC[S+]([O-])c2nc3ccccc3s2)ccnc1-n1c([S+](C)[O-])nc2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL8670315 0.85 MAPT (0.33) MAPT
SCHEMBL8668979 0.83 MEN1 (0.36) MAPT
SCHEMBL8670335 0.81 CYP2C9 (0.36) MAPTPTGS1
SCHEMBL8438828 0.80 KMT2A (0.41) MAPTPTGS1
SCHEMBL8672847 0.80 MAPT (0.33) MAPTPTGS1PTGS2
SCHEMBL8436458 0.78 MAPT (0.48) MAPT
SCHEMBL8672636 0.77 SMN1; SMN2 (0.37) MAPTPTGS1
SCHEMBL8442772 0.75 HTR1D (0.41) —
SCHEMBL8440207 0.74 NPSR1 (0.36) MAPT
SCHEMBL8438635 0.73 POLB (0.43) MAPT

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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