SCHEMBL7989306

SCHEMBL7989306

CCn1ncc(C(=O)c2ccc(Cl)c3ncccc23)c1OS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
GAA P10253 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HPGD P15428 2/20 0.36
NR3C1 P04150 1/20 0.35
COMT P21964 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PTGER1 P34995 1/20 0.33
KDM4A O75164 1/20 0.33

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
SCHEMBL7985671 0.79 COMT (0.44) KDM4ETDP1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7982788 0.67 COMT (0.44) KDM4ETDP1HTTSMN1; SMN2L3MBTL1
SCHEMBL8463407 0.66 PSEN1 (0.32) GAAHTTSMN1; SMN2CYP3A4ALDH1A1
SCHEMBL8303370 0.66 GAA (0.31) GAAHTTSMN1; SMN2ALDH1A1
SCHEMBL461567 0.66 PTGS2 (0.40) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL8307889 0.65 GAA (0.31) GAA
SCHEMBL8307113 0.65 GAA (0.31) GAA
SCHEMBL10595276 0.64 FLT1 (0.46) GAAMAPTHTTSMN1; SMN2HPGD
SCHEMBL10668454 0.64 RAB9A (0.46) SMN1; SMN2PTGER1ALDH1A1MEN1KMT2A
SCHEMBL8940979 0.64 NPC1 (0.30) SMN1; SMN2

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
US-6262074-B1 4-Hetaroylpyrazol derivatives and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
CN-1235600-A 4-hetaroylpyrazol derivatives BASF AG (DE) 1999-11-17 CN disclosed