SCHEMBL10897155

SCHEMBL10897155

CC1CCCCC1NC(=O)c1ccccc1SC#N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 10/20 0.56
▸ TAS1R1 Q7RTX1 10/20 0.56
▸ TAS1R2 Q8TE23 9/20 0.56
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HTT P42858 1/20 0.45

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 0.86 HPGD (0.48) TAS1R3TAS1R1TAS1R2GAAMAPT
SCHEMBL10898564 0.84 HPGD (0.47) TAS1R3TAS1R1TAS1R2GAAMAPT
SCHEMBL10897318 0.83 HPGD (0.48) TAS1R3TAS1R1TAS1R2GAAMAPT
SCHEMBL10897537 0.82 HPGD (0.66) GAAMAPTHPGDLMNANPSR1
SCHEMBL10894940 0.82 HSD17B10 (0.42) TAS1R3TAS1R1TAS1R2GAAMAPT
SCHEMBL10894889 0.80 HPGD (0.43) TAS1R3TAS1R1TAS1R2GAAMAPT
SCHEMBL10898177 0.80 GAA (0.56) TAS1R3TAS1R1TAS1R2GAAMAPT
SCHEMBL10899906 0.79 MAPT (0.42) TAS1R3TAS1R1TAS1R2GAAMAPT
SCHEMBL10897863 0.78 HPGD (0.54) GAAMAPTHPGDLMNANPSR1
SCHEMBL10894950 0.78 HPGD (0.56) GAAMAPTHPGDLMNANPSR1

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