SCHEMBL8328519

SCHEMBL8328519

CCNC(=O)c1sc2ccccc2c1[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
NPC1 O15118 5/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 5/20 0.45
RAB9A P51151 5/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
OGG1 O15527 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARG P37231 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
KMT2A Q03164 4/20 0.42

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
SCHEMBL9024182 0.77 SENP5 (0.58) PTGS2HPGDMAPTLMNAGAA
SCHEMBL8326221 0.77 KDM4E (0.46) PTGS2NPC1HPGDMAPTRAB9A
SCHEMBL7217566 0.71 HPGD (0.41) NPC1HPGDMAPTRAB9ALMNA
SCHEMBL8326252 0.70 NPC1 (0.48) NPC1RAB9ALMNAGAAALDH1A1
SCHEMBL26575957 0.70 CYP1A2 (0.56) NPC1HPGDMAPTRAB9ALMNA
SCHEMBL6360786 0.70 PTGS2 (0.51) PTGS2NPC1HPGDMAPTRAB9A
SCHEMBL24898755 0.69 MAPT (0.60) MAPTLMNASMN1; SMN2TP53
SCHEMBL8331357 0.67 NPC1 (0.47) NPC1HPGDMAPTRAB9ALMNA
SCHEMBL8329059 0.67 CYP1A2 (0.72) NPC1HPGDMAPTRAB9ALMNA
SCHEMBL490124 0.67 ALDH1A1 (0.44) NPC1HPGDMAPTRAB9ALMNA

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