SCHEMBL8060063

SCHEMBL8060063

CCC(C)(NC(=O)c1cc(Br)c(N)c(Br)c1)C(=O)CCl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53BP1 Q12888 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
ANO1 Q5XXA6 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8061116 0.87 LMNA (0.31) HTTLMNAALDH1A1NPC1RAB9A
SCHEMBL8048655 0.85 HTT (0.33) HTTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7527475 0.85 HSD11B1 (0.38) HTTLMNAALDH1A1NPC1L3MBTL1
SCHEMBL8063596 0.84 HTT (0.32) HTTTP53BP1L3MBTL1ANO1POLB
SCHEMBL8048369 0.84 HDAC1 (0.46) HTTNPC1RAB9AL3MBTL1ANO1
SCHEMBL8060023 0.84
SCHEMBL8060020 0.84
SCHEMBL8065523 0.82 KDM4E (0.35) HTTLMNAALDH1A1NPC1RAB9A
SCHEMBL8058888 0.82 HTT (0.31) HTTL3MBTL1
SCHEMBL8163613 0.81 KDR (0.39) HTTLMNAALDH1A1NPC1RAB9A

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