SCHEMBL10898292

SCHEMBL10898292

CCCC1CCC(NC(=O)c2ccccc2SC#N)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38

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
SCHEMBL10900251 0.91 MAPT (0.52) MAPTHPGDGAANPC1RAB9A
SCHEMBL10898177 0.84 GAA (0.56) MAPTHPGDGAANPC1RAB9A
SCHEMBL10900113 0.84 HPGD (0.53) MAPTHPGDGAANPC1RAB9A
SCHEMBL10897537 0.81 HPGD (0.66) MAPTHPGDGAANPC1RAB9A
SCHEMBL10894950 0.80 HPGD (0.56) MAPTHPGDGAANPC1RAB9A
SCHEMBL10899135 0.80 GAA (0.51) MAPTHPGDGAANPC1RAB9A
SCHEMBL10898843 0.77 HPGD (0.49) MAPTHPGDGAANPC1RAB9A
SCHEMBL13181113 0.76 TAS1R3 (0.58) NPC1RAB9ADRD2TAS1R3TAS1R1
SCHEMBL10897863 0.75 HPGD (0.54) MAPTHPGDGAANPC1RAB9A
SCHEMBL10898564 0.74 HPGD (0.47) MAPTHPGDGAANPC1RAB9A

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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