SCHEMBL8048504

SCHEMBL8048504

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 8/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 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
SCHEMBL7686305 0.86 ALDH1A1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL8024809 0.85 NPC1 (0.50) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL8065549 0.84 MEN1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL8065576 0.83 MAPT (0.48) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL8061097 0.83 RAB9A (0.55) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL287961 0.82 ALDH1A1 (0.49) HDAC1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8058977 0.82 ALDH1A1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL8065593 0.81 ESRRG (0.45) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL5507071 0.80 ALDH1A1 (0.54) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL4186853 0.78 HDAC8 (0.38) HDAC3HDAC1HDAC2NPC1RAB9A

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