SCHEMBL8060039

SCHEMBL8060039

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

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DDR1 Q08345 1/20 0.30
AR P10275 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL8058794 0.90 ADRB2 (0.33) HTTL3MBTL1
SCHEMBL8061077 0.86 S1PR3 (0.33) HTTL3MBTL1DDR1ARS1PR1
SCHEMBL8065524 0.84 MAPK8 (0.36) HTTL3MBTL1
SCHEMBL8061116 0.82 LMNA (0.31) HTTL3MBTL1
SCHEMBL8065523 0.80 KDM4E (0.35) HTTL3MBTL1
SCHEMBL7565033 0.80 HTT (0.33) HTTL3MBTL1DDR1S1PR3
SCHEMBL8048416 0.80 ALDH1A1 (0.40) HTT
SCHEMBL8063598 0.79 ANO1 (0.34) HTTL3MBTL1DDR1
SCHEMBL7527475 0.78 HSD11B1 (0.38) HTTL3MBTL1
SCHEMBL8080782 0.78 DDR1 (0.41) DDR1

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