SCHEMBL4437892

SCHEMBL4437892

CCc1c[c]c(OC)c(-c2cc(C)ccc2Br)c1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30
HTR2A P28223 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6536199 0.84 ACHE (0.40) L3MBTL1MAPTHPGDSMN1; SMN2TDP1
SCHEMBL4428503 0.82 CNR1 (0.34)
SCHEMBL3663441 0.77 CYP1A1 (0.32)
SCHEMBL3669188 0.77 S100A4 (0.32)
SCHEMBL4429902 0.74
SCHEMBL4437895 0.72 L3MBTL1 (0.33) L3MBTL1NPC1MAPTHPGDRAB9A
SCHEMBL13407668 0.69 ALDH1A1 (0.43) L3MBTL1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4439373 0.67 AMY1A (0.33) NPC1MAPTHPGDTDP1
SCHEMBL4439142 0.67 S100A4 (0.31)
SCHEMBL15063609 0.67 PTGS2 (0.36) MAPT

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