SCHEMBL8302766

SCHEMBL8302766

COc1nn(C)c(=O)n1-c1ccccc1CON=Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PIK3CG P48736 4/20 0.33
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL17159666 0.78 IDO1 (0.43) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL6075631 0.78 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL8153911 0.77 IDO1 (0.44) SMN1; SMN2NPC1RAB9APKML3MBTL1
SCHEMBL8211813 0.76 L3MBTL1 (0.32) SMN1; SMN2NPC1RAB9AKMT2APKM
SCHEMBL8789509 0.76 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL2889854 0.75 MAOA (0.38) SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2889852 0.75 MAOA (0.38) SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8230596 0.74
SCHEMBL8229019 0.74
SCHEMBL8791888 0.72 PPARG (0.39) RAB9AMEN1KMT2AALDH1A1LMNA

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-0729461-B1 FUNGICIDAL CYCLIC AMIDES DU PONT (US) 1999-11-24 EP disclosed
US-5977149-A Dihydrotriazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-02 US disclosed
WO-1995014009-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-05-26 WO disclosed