SCHEMBL4437895

SCHEMBL4437895

CCc1c[c]c(OC)cc1-c1cc(C)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.33
KDM4E B2RXH2 1/20 0.33
NQO1 P15559 1/20 0.33
POR P16435 1/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ALKBH3 Q96Q83 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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

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
SCHEMBL4428506 0.77 GABRA1 (0.34) HTR2A
SCHEMBL3663442 0.77 MEN1 (0.33) MAPTNPC1RAB9A
SCHEMBL4437892 0.72 L3MBTL1 (0.31) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL15064076 0.71 PTGS2 (0.35)
SCHEMBL3669190 0.71 S100A4 (0.32)
SCHEMBL4439375 0.69 F11 (0.33) KDM4EMAPTHPGDNPC1RAB9A
SCHEMBL13407668 0.69 ALDH1A1 (0.43) L3MBTL1MAPK1MAOBNPC1RAB9A
SCHEMBL4429904 0.69
SCHEMBL4439144 0.67 PLK4 (0.31)
SCHEMBL7684229 0.67 TAAR1 (0.44) L3MBTL1KDM4EMAPTHPGDMAPK1

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