SCHEMBL8795405

SCHEMBL8795405

Cc1cc(OC(C)C)nc(N(C(=O)O)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EDNRB P24530 3/20 0.39
EDNRA P25101 3/20 0.39
MCOLN3 Q8TDD5 1/20 0.37
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8795079 0.90 MAPT (0.40) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8540036 0.86 TSHR (0.52) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL1111522 0.84 POLB (0.47) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8796109 0.79 TSHR (0.39) MAPTMEN1KMT2APOLBTSHR
SCHEMBL8795503 0.77 LMNA (0.45) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL1577217 0.77 KMT2A (0.45) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL8795541 0.76 SLC2A1 (0.49) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8795041 0.75 EDNRB (0.44) MAPTKMT2APOLBTSHRNPSR1
SCHEMBL8795437 0.75 ALDH1A1 (0.40) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8795075 0.73 EDNRB (0.46) MAPTKMT2APOLBSMN1; SMN2TSHR

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