SCHEMBL8065549

SCHEMBL8065549

CCC(C)(NC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)CCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 4/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
ADRB2 P07550 1/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 1/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL8060054 0.86 ALDH1A1 (0.38) MEN1KMT2ALMNAALDH1A1HSP90AA1
SCHEMBL8048416 0.85 ALDH1A1 (0.40) MEN1KMT2ALMNAALDH1A1HSP90AA1
SCHEMBL8061097 0.85 RAB9A (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8048504 0.84 HDAC3 (0.53) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL7686305 0.83 ALDH1A1 (0.58) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL8060073 0.83 ESR1 (0.40) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL8048446 0.83 ALDH1A1 (0.42) MEN1KMT2ALMNAALDH1A1HSP90AA1
SCHEMBL8058977 0.81 ALDH1A1 (0.51) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL8048407 0.80 HTT (0.39) KMT2ALMNAALDH1A1HSP90AA1HPGD
SCHEMBL8065593 0.79 ESRRG (0.45) MEN1KMT2ALMNAALDH1A1MAPT

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