SCHEMBL8795437

SCHEMBL8795437

CC(C)Oc1nc(Cl)nc(N(C(=O)O)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 1/20 0.35
MAPK14 Q16539 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 4/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 2/20 0.33
TP53 P04637 2/20 0.33
MAPKAPK2 P49137 1/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL31398577 0.81 ALDH1A1 (0.44) ALDH1A1TDP1KMT2ASMN1; SMN2MEN1
SCHEMBL8795405 0.75 MAPT (0.51) ALDH1A1NPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL8795096 0.74 NPSR1 (0.47) ALDH1A1TDP1NPSR1KMT2AMEN1
SCHEMBL8795019 0.74 LMNA (0.48) ALDH1A1TDP1NPSR1KMT2AMEN1
SCHEMBL8628902 0.71 MAPT (0.38) ALDH1A1TDP1NPSR1KMT2ASMN1; SMN2
SCHEMBL8795346 0.71 HIF1A (0.45) ALDH1A1TDP1NPSR1KMT2ASMN1; SMN2
SCHEMBL8795165 0.70 NPSR1 (0.42) ALDH1A1TDP1NPSR1KMT2AMEN1
SCHEMBL8794504 0.70 ATM (0.50) ALDH1A1NPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL11879865 0.69 ALDH1A1 (0.55) ALDH1A1TDP1NPSR1KMT2ASMN1; SMN2
SCHEMBL708655 0.69 KMT2A (0.53) ALDH1A1TDP1NPSR1KMT2AMEN1

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