SCHEMBL8326221

SCHEMBL8326221

CCNC(=O)c1c([Si](C)(C)C)sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 4/20 0.40
CNR1 P21554 2/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PDE5A O76074 1/20 0.39
BRD4 O60885 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
OGG1 O15527 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL8331488 0.84 L3MBTL1 (0.51) KDM4ELMNAMAPK1NPC1RAB9A
SCHEMBL8330157 0.79 PRNP (0.45) KDM4ELMNAMAPK1RAB9ACNR2
SCHEMBL8328519 0.77 PTGS2 (0.47) KDM4ELMNAMAPK1NPC1RAB9A
SCHEMBL8327817 0.77 CD274 (0.55) KDM4ELMNAMAPK1NPC1RAB9A
SCHEMBL8330931 0.73 CD274 (0.41) KDM4ELMNAMAPK1NPC1RAB9A
SCHEMBL4094953 0.71 RPS6KB1 (0.50) CNR2ABCC1ABCG2
SCHEMBL7217363 0.71 TSHR (0.41) KDM4EMAPK1NPC1GAACYP1A2
SCHEMBL8331863 0.70 ALOX5 (0.41) KDM4ELMNAMAPK1NPC1RAB9A
SCHEMBL8332494 0.70 KDM4E (0.42) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL8332147 0.70 KDM4E (0.44) KDM4ENPC1RAB9AGAAHPGD

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