SCHEMBL9748822

SCHEMBL9748822

CCOC(=O)c1c(-c2nccc3ccccc23)n[nH]c1S

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ADORA3 P0DMS8 3/20 0.43
POLB P06746 1/20 0.43
CDC25B P30305 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 4/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 1/20 0.40
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
HPGDS O60760 1/20 0.40
ADORA2B P29275 1/20 0.39

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
SCHEMBL9749016 0.86 KMT2A (0.45) KDM4EADORA3POLBCDC25BALDH1A1
SCHEMBL9748869 0.86 KMT2A (0.45) KDM4EADORA3POLBCDC25BALDH1A1
SCHEMBL9749032 0.81 KDM4E (0.40) KDM4EADORA3POLBCDC25BALDH1A1
SCHEMBL10919608 0.79 LMNA (0.47) KDM4EADORA3POLBALDH1A1HPGD
SCHEMBL10922416 0.78 PDE4D (0.45) KDM4EADORA3POLBALDH1A1HPGD
SCHEMBL9747984 0.76 MEN1 (0.42) KDM4EADORA3POLBALDH1A1HPGD
SCHEMBL10922158 0.74 PDE4D (0.43) KDM4EADORA3POLBALDH1A1HPGD
SCHEMBL10921097 0.74 ALDH1A1 (0.49) KDM4EADORA3ALDH1A1HPGDKMT2A
SCHEMBL10060155 0.73 KDM4E (0.58) KDM4EPOLBCDC25BALDH1A1HPGD
SCHEMBL10925879 0.73 PDE4D (0.40) KDM4EADORA3POLBALDH1A1HPGD

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
EP-0224842-B1 PYRAZOLESULFONAMIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND HERBICIDE CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-02-05 EP disclosed