SCHEMBL8065524

SCHEMBL8065524

CCC(C)(NC(=O)c1cc(N)c(C#N)c(Cl)c1)C(=O)CCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 15/20 0.36
MAPK9 P45984 10/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK10 P53779 3/20 0.32
RPS27 P42677 3/20 0.32
PRKD3 O94806 4/20 0.32
MAP4K2 Q12851 3/20 0.32
MAP4K4 O95819 2/20 0.32
PKN2 Q16513 2/20 0.32
PRKD2 Q9BZL6 2/20 0.32
STK17A Q9UEE5 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
TTK P33981 1/20 0.31

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
SCHEMBL7565033 0.92 HTT (0.33) KDM4EALDH1A1GAAHTTL3MBTL1
SCHEMBL8065523 0.84 KDM4E (0.35) KDM4EALDH1A1GAAHTTL3MBTL1
SCHEMBL8060039 0.84 HTT (0.31) HTTL3MBTL1
SCHEMBL8061077 0.84 S1PR3 (0.33) KDM4EALDH1A1GAAHTTL3MBTL1
SCHEMBL7527475 0.83 HSD11B1 (0.38) KDM4EALDH1A1GAAHTTL3MBTL1
SCHEMBL8058794 0.83 ADRB2 (0.33) KDM4EHTTL3MBTL1
SCHEMBL8063598 0.79 ANO1 (0.34) GAAHTTL3MBTL1
Zoxamide SCHEMBL7170744 0.79 LMNA (0.36) KDM4EALDH1A1GAAHTTL3MBTL1
Zoxamide SCHEMBL70113 0.79 LMNA (0.36) KDM4EALDH1A1GAAHTTL3MBTL1
Zoxamide SCHEMBL170285 0.79 LMNA (0.36) KDM4EALDH1A1GAAHTTL3MBTL1

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
EP-0816331-B1 Fungicidally active n-acetonylbenzamide compounds ROHM & HAAS (US) 2000-05-24 EP disclosed
US-5929098-A Fungicidically active N-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1999-07-27 US disclosed
EP-0816331-A1 Fungicidally active n-acetonylbenzamide compounds ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed