SCHEMBL11863584

SCHEMBL11863584

O=C(Nc1cccc(NC(=S)Nc2ccccc2)c1)C1CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.68
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ MAPT P10636 2/20 0.64
▸ GFER P55789 1/20 0.64
▸ HPGD P15428 2/20 0.61
▸ KCNK3 O14649 1/20 0.59
▸ KCNK9 Q9NPC2 1/20 0.59
▸ LMNA P02545 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL31401955 0.87 MAPT (0.68) GAAKMT2AMEN1MAPTGFER
SCHEMBL10055001 0.85 GAA (0.85) GAAKMT2AMEN1MAPTGFER
SCHEMBL29675219 0.85 GAA (0.85) GAAKMT2AMEN1MAPTGFER
SCHEMBL501924 0.85 GAA (0.85) GAAKMT2AMEN1MAPTGFER
Hydrochloric Acid SCHEMBL1804763 0.83 GAA (0.82) GAAKMT2AMEN1MAPTGFER
SCHEMBL11873639 0.82 MAPT (0.64) GAAKMT2AMEN1MAPTGFER
SCHEMBL12160117 0.82 MAPK1 (0.72) GAAKMT2AMEN1MAPTGFER
SCHEMBL31401958 0.81 HPGD (0.76) GAAKMT2AMEN1MAPTGFER
SCHEMBL25281133 0.81 GAA (1.00) GAAKMT2AMEN1MAPTGFER
SCHEMBL19501632 0.80 HPGD (0.79) GAAKMT2AMEN1MAPTGFER

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-3979202-A Meta-bifunctional benzenes and herbicidal compositions MONSANTO COMPANY (US) 1976-09-07 — — US disclosed
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