SCHEMBL8065576

SCHEMBL8065576

CCC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
ALDH1A1 P00352 6/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.44
ALOX12 P18054 2/20 0.43
TP53 P04637 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
CA12 O43570 1/20 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
SCHEMBL8048504 0.83 HDAC3 (0.53) MAPTL3MBTL1RAB9ANPC1HDAC3
SCHEMBL5507071 0.79 ALDH1A1 (0.54) MAPTL3MBTL1RAB9ANPC1HDAC3
SCHEMBL8058829 0.79 ALDH1A1 (0.49) MAPTL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL1857541 0.76 MAPK1 (0.56) MAPTL3MBTL1RAB9AHDAC3HDAC1
SCHEMBL8063585 0.74 L3MBTL1 (0.51) MAPTL3MBTL1RAB9ANPC1HDAC3
SCHEMBL8024809 0.73 NPC1 (0.50) MAPTL3MBTL1RAB9ANPC1HDAC3
SCHEMBL689308 0.72 SMN1; SMN2 (0.64) MAPTL3MBTL1RAB9ANPC1HDAC3
SCHEMBL7161750 0.72 ALDH1A1 (0.34) MAPTL3MBTL1NPC1ALDH1A1POLB
SCHEMBL28454641 0.72 TDP1 (0.53) MAPTL3MBTL1RAB9ANPC1HDAC3
SCHEMBL689307 0.71 HDAC3 (0.58) MAPTL3MBTL1RAB9ANPC1HDAC3

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