SCHEMBL10896129

SCHEMBL10896129

CC1CCCC(C)C1NC(=O)c1ccccc1SC#N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TAS1R3 Q7RTX0 5/20 0.42
▸ TAS1R1 Q7RTX1 5/20 0.42
▸ TAS1R2 Q8TE23 5/20 0.42
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL10899906 0.87 MAPT (0.42) HPGDMAPTGAANPSR1HTT
SCHEMBL10897155 0.86 TAS1R3 (0.56) HPGDMAPTGAANPSR1HTT
SCHEMBL10897863 0.81 HPGD (0.54) HPGDMAPTGAANPSR1HTT
SCHEMBL10894889 0.81 HPGD (0.43) HPGDMAPTGAANPSR1HTT
SCHEMBL10898177 0.81 GAA (0.56) HPGDMAPTGAATAS1R3TAS1R1
SCHEMBL10897537 0.80 HPGD (0.66) HPGDMAPTGAANPSR1HTT
SCHEMBL10898843 0.78 HPGD (0.49) HPGDMAPTGAAHTTHSD17B10
SCHEMBL10898808 0.77 HPGD (0.52) HPGDMAPTGAANPSR1HTT
SCHEMBL10899135 0.76 GAA (0.51) HPGDMAPTGAANPSR1HTT
SCHEMBL10894950 0.76 HPGD (0.56) HPGDMAPTGAANPSR1HTT

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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