SCHEMBL8063585

SCHEMBL8063585

C#CC(C)(CC)NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
MAPT P10636 8/20 0.47
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 3/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL29082695 0.83 RAB9A (0.52) L3MBTL1HTTRAB9ANPC1HDAC3
SCHEMBL8065607 0.82 POLB (0.53) L3MBTL1HTTRAB9ANPC1MAPT
SCHEMBL5507071 0.81 ALDH1A1 (0.54) L3MBTL1HTTRAB9ANPC1HDAC3
SCHEMBL8058947 0.78 KMT2A (0.57) L3MBTL1HTTRAB9ANPC1MAPT
SCHEMBL1857541 0.78 MAPK1 (0.56) L3MBTL1HTTRAB9AHDAC3HDAC1
SCHEMBL8048504 0.75 HDAC3 (0.53) L3MBTL1RAB9ANPC1HDAC3HDAC1
SCHEMBL689308 0.74 SMN1; SMN2 (0.64) L3MBTL1HTTRAB9ANPC1HDAC3
SCHEMBL1127027 0.74 CA2 (0.60) L3MBTL1RAB9ANPC1HDAC3HDAC1
SCHEMBL28454641 0.74 TDP1 (0.53) L3MBTL1RAB9ANPC1HDAC3HDAC1
SCHEMBL8065576 0.74 MAPT (0.48) L3MBTL1HTTRAB9ANPC1HDAC3

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