SCHEMBL8333201

SCHEMBL8333201

COc1ccccc1OC(=S)c1c2ccccc2nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
CDK9 P50750 1/20 0.45
DYRK1A Q13627 1/20 0.45
ALOX15 P16050 2/20 0.44
NQO2 P16083 2/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ADORA2A P29274 1/20 0.42
RAD52 P43351 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL6930359 0.81 MAOA (0.43) POLBALDH1A1MAPTKDM4EMAPK1
SCHEMBL7027183 0.81 POLB (0.51) POLBALDH1A1MAPTRAB9AKDM4E
SCHEMBL8581655 0.81 PDE10A (0.41) POLBALDH1A1MAPTRAB9AMAPK1
SCHEMBL8740694 0.81 MAPT (0.41) POLBALDH1A1MAPTRAB9AKDM4E
SCHEMBL7756511 0.78 KDM4E (0.48) POLBALDH1A1MAPTRAB9AKDM4E
SCHEMBL8330737 0.76 MEN1 (0.40) POLBALDH1A1MAPTRAB9AKDM4E
SCHEMBL7030411 0.75 SCN9A (0.43) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7024083 0.75 POLB (0.43) POLBALDH1A1MAPTKDM4EMAPK1
SCHEMBL7756508 0.74 KMT2A (0.46) POLBALDH1A1MAPTRAB9AKDM4E
SCHEMBL7755157 0.72 MAPK14 (0.33) POLBALDH1A1MAPTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819119-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN INC (US) 1999-04-14 EP disclosed
EP-0819119-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN, INC. (US) 1998-01-21 EP disclosed
WO-1997026245-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN, INC. (US) 1997-07-24 WO disclosed