SCHEMBL10898564

SCHEMBL10898564

CCC1CCCCC1NC(=O)c1ccccc1SC#N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.45
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TAS1R3 Q7RTX0 4/20 0.39
▸ TAS1R1 Q7RTX1 4/20 0.39
▸ TAS1R2 Q8TE23 4/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10897155 0.84 TAS1R3 (0.56) HPGDMAPTGAAHSD17B10HTT
SCHEMBL10897318 0.80 HPGD (0.48) HPGDMAPTGAAHSD17B10HTT
SCHEMBL10897537 0.79 HPGD (0.66) HPGDMAPTGAAHTTNPSR1
SCHEMBL10900251 0.79 MAPT (0.52) HPGDMAPTGAAHSD17B10HTT
SCHEMBL10900102 0.78 TAS1R3 (0.44) HPGDMAPTGAAHSD17B10HTT
SCHEMBL10899135 0.77 GAA (0.51) HPGDMAPTGAAHSD17B10HTT
SCHEMBL10896129 0.76 HPGD (0.48) HPGDMAPTGAAHSD17B10HTT
SCHEMBL10894950 0.75 HPGD (0.56) HPGDMAPTGAAHTTNPSR1
SCHEMBL10898292 0.74 MAPT (0.50) HPGDMAPTGAAHSD17B10HTT
SCHEMBL10900113 0.74 HPGD (0.53) HPGDMAPTGAAHTTNPSR1

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
US-4565829-A Fungicidal 2-thiocyanato-benzamides BAYER AKTIENGESELLSCHAFT (DE) 1986-01-21 — — US disclosed
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