SCHEMBL4433438

SCHEMBL4433438

Cc1ccc(Br)c(-c2ccc[c]c2C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
ELANE P08246 1/20 0.36
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4437742 0.86 PTPRC (0.39) MAPK1ALDH1A1L3MBTL1
SCHEMBL4429990 0.81 ELANE (0.38) MAOBMAOAELANEALDH1A1NPC1
SCHEMBL4438081 0.79 GPR3 (0.34)
SCHEMBL4431124 0.79 ELANE (0.36) ELANEALDH1A1NPC1RAB9ATP53
SCHEMBL22115865 0.78
SCHEMBL13407668 0.78 ALDH1A1 (0.43) MAOBMAOAELANEMAPK1ALDH1A1
SCHEMBL4429702 0.76 ACHE (0.46) ELANEMAPK1ALDH1A1NPC1RAB9A
SCHEMBL4429896 0.71 PTPRC (0.35) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2565144 0.71 TDP1 (0.35) MAPK1ALDH1A1NPC1RAB9ATP53
SCHEMBL4432034 0.70 MAOB (0.36) MAOBMAOAELANEMAPK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed