SCHEMBL10899906

SCHEMBL10899906

CC1CC(C)C(NC(=O)c2ccccc2SC#N)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.40
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ TAS1R2 Q8TE23 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 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
SCHEMBL10896129 0.87 HPGD (0.48) MAPTHPGDGAAHSD17B10HTT
SCHEMBL10898843 0.86 HPGD (0.49) MAPTHPGDGAAHSD17B10HTT
SCHEMBL10898177 0.81 GAA (0.56) MAPTHPGDGAATAS1R3TAS1R1
SCHEMBL10897863 0.79 HPGD (0.54) MAPTHPGDGAAHSD17B10HTT
SCHEMBL10899131 0.79 HPGD (0.43) MAPTHPGDGAAHSD17B10HTT
SCHEMBL10897155 0.79 TAS1R3 (0.56) MAPTHPGDGAAHSD17B10HTT
SCHEMBL10896965 0.78 TDP1 (0.46) MAPTHPGDGAAHSD17B10HTT
SCHEMBL10895883 0.76 TRPM8 (0.57) HPGDHSD17B10
SCHEMBL10894940 0.76 HSD17B10 (0.42) MAPTHPGDGAAHSD17B10HTT
SCHEMBL10897537 0.75 HPGD (0.66) MAPTHPGDGAAHTTNPSR1

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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