SCHEMBL10618628

SCHEMBL10618628

CC(C(=O)O)c1ccc2c(c1)N(C)c1ccccc1S2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 4/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAOA P21397 1/20 0.53
BCHE P06276 5/20 0.52
HTR2C P28335 3/20 0.52
DRD3 P35462 3/20 0.52
HTR2B P41595 2/20 0.52
HTR1A P08908 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2A P28223 1/20 0.52
HTR6 P50406 1/20 0.52
PTGS2 P35354 4/20 0.52
OPRK1 P41145 1/20 0.52
PDE4D Q08499 1/20 0.52
HRH1 P35367 1/20 0.48
PTGS1 P23219 3/20 0.46

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
SCHEMBL6850709 0.92 NOX1 (0.62) NOX1LMNAMAPTL3MBTL1MAPK1
SCHEMBL15101211 0.85 NOX1 (0.54) NOX1LMNAMAPTL3MBTL1MAPK1
SCHEMBL8609171 0.82 MAOA (0.59) NOX1LMNAMAPTL3MBTL1MAPK1
Protizinic Acid SCHEMBL29359535 0.82 AKR1C3 (0.54) LMNAMAPTMAPK1PTGS2PTGS1
Protizinic Acid SCHEMBL18309842 0.82 AKR1C3 (0.54) LMNAMAPTMAPK1PTGS2PTGS1
Protizinic Acid SCHEMBL25022 0.82 AKR1C3 (0.54) LMNAMAPTMAPK1PTGS2PTGS1
SCHEMBL1102432 0.82 MAOA (0.63) NOX1LMNAMAPTL3MBTL1MAPK1
SCHEMBL11818814 0.81 PTGS2 (0.60) LMNAMAPTMAPK1BCHEHTR2C
SCHEMBL9778268 0.78 L3MBTL1 (0.52) NOX1LMNAMAPTL3MBTL1MAPK1
SCHEMBL10369707 0.78 HTR1A (0.66) LMNAMAPTMAPK1TDP1MAOA

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
WO-1988009783-A1 POLYMERIC ULTRAVIOLET LIGHT ABSORBERS BIOPOLYMERS LIMITED (AU) 1988-12-15 WO claimed
WO-1988009783-A1 POLYMERIC ULTRAVIOLET LIGHT ABSORBERS BIOPOLYMERS LIMITED (AU) 1988-12-15 WO disclosed