SCHEMBL8794497

SCHEMBL8794497

COc1nc(N(C(=O)O)c2ccccc2)nc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
POLQ O75417 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.33

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
SCHEMBL8795096 0.86 NPSR1 (0.47) NPSR1HTTRAB9AL3MBTL1ATM
SCHEMBL8794504 0.81 ATM (0.50) HSD17B10NPSR1L3MBTL1ATMKMT2A
SCHEMBL8795165 0.81 NPSR1 (0.42) NPSR1HTTL3MBTL1ATMKMT2A
SCHEMBL9620597 0.75 NPSR1 (0.42) NPSR1HTTRAB9AL3MBTL1ATM
SCHEMBL1577217 0.73 KMT2A (0.45) NPSR1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL8629685 0.71 ABCG2 (0.39) HTTRAB9APAX8SMN1; SMN2ALDH1A1
SCHEMBL8795346 0.71 HIF1A (0.45) NPSR1HTTRAB9AL3MBTL1ATM
SCHEMBL16228321 0.70 SENP8 (0.41) NPSR1HTTRAB9AL3MBTL1ATM
SCHEMBL9368620 0.69 ALDH1A1 (0.45) HTTRAB9APAX8ATMKMT2A
SCHEMBL8794905 0.69 TSHR (0.49) NPSR1HTTRAB9AL3MBTL1ATM

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
EP-0645386-B1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1997-12-29 EP disclosed
EP-0645386-A1 N-Azinyl-N'-(het)arylsulfonylureas as herbicides BAYER AG (DE) 1995-03-29 EP disclosed