SCHEMBL10338291

SCHEMBL10338291

CCCOCCOC(=O)CSc1cc(NC(=S)N2CCCCN2)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9824039 0.92 SMN1; SMN2 (0.40) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9823977 0.90 ALDH1A1 (0.41) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9374218 0.88 NPSR1 (0.34) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9824016 0.87 ALDH1A1 (0.38) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9374243 0.84 POLB (0.33) NPSR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9824718 0.77 NPSR1 (0.35) NPSR1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9824445 0.77 NPSR1 (0.39) NPSR1LMNASMN1; SMN2MAPTPOLB
SCHEMBL9824163 0.71 KMT2A (0.35) NPSR1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9094743 0.68 ALDH1A1 (0.34) NPSR1ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL9770869 0.67 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2045488-A None JP disclosed
JP-H0245488-A THIADIAZABICYCLONONANE DERIVATIVE AND HERBICIDE KUMIAI CHEM IND CO LTD 1990-02-15 JP disclosed
JP-H00245488-A 0001-01-01 JP disclosed