SCHEMBL9374243

SCHEMBL9374243

C#CCOC(=O)CSc1cc(NC(=S)N2CCCCN2)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
ALDH1A1 P00352 2/20 0.33
AGPAT2 O15120 5/20 0.33
HPGD P15428 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 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
SCHEMBL9823977 0.88 ALDH1A1 (0.41) POLBNPSR1ALDH1A1HDAC3HDAC4
SCHEMBL9824016 0.87 ALDH1A1 (0.38) NPSR1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL9374218 0.85 NPSR1 (0.34) POLBNPSR1ALDH1A1HDAC3HDAC4
SCHEMBL9371923 0.85 OPRK1 (0.38) POLBALDH1A1HPGDMAPTMEN1
SCHEMBL9824039 0.85 SMN1; SMN2 (0.40) NPSR1ALDH1A1HPGDHDAC3HDAC4
SCHEMBL10338291 0.84 NPSR1 (0.35) POLBNPSR1ALDH1A1HPGDHDAC3
SCHEMBL9824287 0.74 GAA (0.37) POLBNPSR1ALDH1A1HPGDMAPT
SCHEMBL9824163 0.73 KMT2A (0.35) POLBNPSR1ALDH1A1HPGDMAPT
SCHEMBL9824718 0.72 NPSR1 (0.35) NPSR1ALDH1A1HPGDMAPTMEN1
SCHEMBL9824445 0.72 NPSR1 (0.39) POLBNPSR1HPGDMAPTKMT2A

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
EP-0312064-B1 Thiadiazabicyclononane derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-05-04 EP disclosed
US-4927448-A Thiadiazabicyclononane derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-05-22 US disclosed