SCHEMBL9235758

SCHEMBL9235758

O=S1(=O)NCCc2sccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
KEAP1 Q14145 1/20 0.37
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
GID4 Q8IVV7 1/20 0.31
AOC3 Q16853 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
SCHEMBL8250932 0.79 PNMT (0.33) PNMTKEAP1
SCHEMBL13545452 0.71 PNMT (0.38) PNMTHTR1ADRD2HTR2A
SCHEMBL710185 0.65 KEAP1 (0.50) PNMTKEAP1HTR1ADRD2HTR2A
SCHEMBL5851674 0.62 MAP2K1 (0.41) KEAP1
SCHEMBL21906175 0.62 KEAP1 (0.42) KEAP1
SCHEMBL4303248 0.61 PARP10 (0.47) PNMT
SCHEMBL22726002 0.60 AOC3 (0.47) KEAP1DRD2AOC3
SCHEMBL21266522 0.60 CA1 (0.49) KEAP1AOC3
SCHEMBL22618988 0.60 KEAP1 (0.41) KEAP1
SCHEMBL13488121 0.60 CA1 (0.45) KEAP1HTR1ADRD2HTR2AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585377-A CONTROLLING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1996-12-17 US disclosed
US-5378703-A FOR CONTROLLING INTRAOCULAR PRESSURE ALCON LABORATORIES, INC. (US) 1995-01-03 US disclosed