SCHEMBL4355515

SCHEMBL4355515

c1ccc(CSc2ccccc2C2=NOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.37
EGFR P00533 5/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
S100A4 P26447 1/20 0.35
FKBP1A P62942 1/20 0.34
MAPT P10636 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GSTP1 P09211 1/20 0.34

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
SCHEMBL1203340 0.81 ALDH1A1 (0.47) HTTHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL8631968 0.78 POLB (0.42) POLBHTTHSD17B10EGFRRAB9A
SCHEMBL6777717 0.70 POLB (0.59) POLBHSD17B10EGFRRAB9ASMN1; SMN2
SCHEMBL10763514 0.69 POLB (0.45) POLBHTTHSD17B10EGFRRAB9A
SCHEMBL8628193 0.69 POLB (0.41) POLBHTTHSD17B10EGFRRAB9A
SCHEMBL17626796 0.68 POLB (0.44) POLBHTTHSD17B10RAB9ASMN1; SMN2
SCHEMBL8626370 0.67 CRBN (0.41) HSD17B10RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL3175492 0.67 HPGD (0.44) HTTHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL9034353 0.67 POLB (0.42) POLBHTTHSD17B10EGFRRAB9A
SCHEMBL570014 0.66 CHRNB4 (0.42) RAB9ASMN1; SMN2NPC1MAPK1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072512-A1 Herbicide compounds based on N-Azinyl-N'-pyridylsulfonyl-ureas Bayer CropScience AG (DE) 2009-06-24 EP disclosed