SCHEMBL8474603

SCHEMBL8474603

ONc1cccnc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 3/20 0.53
P2RY1 P47900 4/20 0.52
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK8 P45983 3/20 0.48
KMT2A Q03164 1/20 0.46
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Hydrochloric Acid SCHEMBL3562943 0.81 TDP1 (0.53) TDP1ALDH1A1P2RY1GAAMAPT
SCHEMBL2878935 0.76 TDP1 (0.54) TDP1ALDH1A1P2RY1GAAMAPT
SCHEMBL239798 0.75 KDM4E (0.58) TDP1ALDH1A1P2RY1GAAMAPT
SCHEMBL8009202 0.74 KMT2A (0.65) TDP1ALDH1A1P2RY1KMT2AKDM4E
SCHEMBL4938450 0.73 TDP1 (0.51) TDP1ALDH1A1P2RY1GAAMAPT
SCHEMBL243134 0.72 ALDH1A1 (0.53) TDP1ALDH1A1MAPTMAPK8KMT2A
SCHEMBL10807074 0.72 TDP1 (0.50) TDP1ALDH1A1P2RY1MAPK8KMT2A
SCHEMBL15924716 0.72 MAPK8 (0.52) TDP1ALDH1A1GAAMAPK8KMT2A
SCHEMBL13005228 0.72 PDE10A (0.51) TDP1ALDH1A1MAPTMAPK8KMT2A
SCHEMBL11183197 0.72 TDP1 (0.50) TDP1ALDH1A1MAPTMAPK8KMT2A

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
US-5977146-A Pyridylcarbamates, process and intermediates for their preparation, and their use BASF AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed
EP-0874825-A1 PYRIDYL CARBAMATES, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-11-04 EP disclosed
WO-1997021679-A1 PYRIDYL CARBAMATES, PROCESS AND INTERMEDIATES FOR THE PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-06-19 WO disclosed