SCHEMBL8065607

SCHEMBL8065607

C#CC(C)(CC)NC(=O)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
TSHR P16473 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 6/20 0.48
ALPL P05186 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 1/20 0.45
KLF10 Q13118 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
SCHEMBL8063585 0.82 L3MBTL1 (0.51) POLBMEN1KMT2ARAB9AL3MBTL1
SCHEMBL8058947 0.81 KMT2A (0.57) POLBMEN1KMT2ARAB9AL3MBTL1
SCHEMBL8061097 0.77 RAB9A (0.55) POLBTSHRMEN1KMT2AGAA
SCHEMBL3104435 0.76 RAB9A (0.66) POLBTSHRMEN1KMT2AGAA
SCHEMBL5180766 0.76 TSHR (0.66) POLBTSHRMEN1KMT2AGAA
SCHEMBL385099 0.74 TSHR (0.68) POLBTSHRMEN1KMT2AGAA
SCHEMBL5181990 0.73 TSHR (0.57) POLBTSHRMEN1KMT2AGAA
SCHEMBL11973019 0.72 KMT2A (0.70) POLBTSHRMEN1KMT2AGAA
SCHEMBL8637297 0.72 TSHR (0.60) POLBTSHRMEN1KMT2AGAA
SCHEMBL12695302 0.71 TSHR (0.68) POLBTSHRMEN1KMT2AGAA

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