SCHEMBL8795221

SCHEMBL8795221

CCc1cc(CC)nc(N(C(=O)O)c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.37
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL8795041 0.91 EDNRB (0.44) EDNRBEDNRANPSR1TSHRALDH1A1
SCHEMBL1111522 0.78 POLB (0.47) NPSR1TSHRALDH1A1KMT2APOLB
SCHEMBL8795075 0.77 EDNRB (0.46) EDNRBEDNRANPSR1TSHRALDH1A1
SCHEMBL743035 0.76 NPSR1 (0.40) NPSR1TSHRALDH1A1KMT2APOLB
SCHEMBL8794905 0.76 TSHR (0.49) NPSR1TSHRALDH1A1KMT2APOLB
SCHEMBL8794923 0.75 S1PR1 (0.43) NPSR1TSHRALDH1A1KMT2APOLB
SCHEMBL8795346 0.75 HIF1A (0.45) NPSR1TSHRALDH1A1KMT2APOLB
SCHEMBL1577217 0.74 KMT2A (0.45) EDNRBEDNRANPSR1TSHRALDH1A1
SCHEMBL19714098 0.73 NPSR1 (0.40) NPSR1TSHRALDH1A1KMT2APOLB
SCHEMBL8626603 0.73 RXRA (0.41) EDNRBEDNRANPSR1TSHRALDH1A1

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