SCHEMBL8332147

SCHEMBL8332147

CCNC(=O)c1c([Si](C)(C)C)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
RAB9A P51151 1/20 0.40
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
EPHX1 P07099 1/20 0.38
NCEH1 Q6PIU2 1/20 0.37
PIN1 Q13526 1/20 0.37

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
SCHEMBL13973087 0.80 KDM4E (0.47) KDM4ERAB9ABRD4NPC1HPGD
SCHEMBL17119844 0.78 KDM4E (0.53) KDM4ERAB9ABRD4L3MBTL1NPSR1
SCHEMBL8332494 0.77 KDM4E (0.42) KDM4ERAB9ABRD4L3MBTL1NPC1
SCHEMBL16810280 0.77 CHRNB2 (0.46) KDM4ENPC1HPGDPIN1
SCHEMBL8332273 0.77 LMNA (0.44) KDM4ERAB9AL3MBTL1HSD17B10NPC1
SCHEMBL7217417 0.74 L3MBTL1 (0.39) KDM4EL3MBTL1NPSR1HSD17B10NPC1
SCHEMBL8331655 0.73 SMN1; SMN2 (0.44) KDM4ERAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL7219577 0.73 NPC1 (0.41) RAB9ANPC1HPGDALDH1A1MAPT
SCHEMBL7223723 0.73 KMT2A (0.38) KDM4ERAB9AL3MBTL1NPSR1HSD17B10
SCHEMBL7219480 0.73 KDM4E (0.37) KDM4ERAB9ABRD4L3MBTL1NPSR1

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
US-5994270-A CONTROLLING GAEUMANNOMYCES MONSANTO COMPANY (US) 1999-11-30 US disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP disclosed