SCHEMBL5086321

SCHEMBL5086321

Cc1[c]cc(Cl)c(-c2cc(C)ccc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.36
LRRK2 Q5S007 1/20 0.34
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 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
SCHEMBL4609343 0.83 LMNA (0.36) ALKBH3LRRK2MAOAMAOBHTR2A
SCHEMBL3664944 0.82 RAPGEF4 (0.35) ALKBH3LRRK2MAPT
SCHEMBL3412996 0.77 ALKBH3 (0.36) ALKBH3LRRK2MAOAMAOBMEN1
SCHEMBL5086316 0.76 ALKBH3 (0.35) ALKBH3LRRK2MAOAMAOBMEN1
SCHEMBL3412999 0.74 ALKBH3 (0.34) ALKBH3LRRK2
SCHEMBL4426438 0.74 HTR2B (0.36) ALDH1A1MAPT
SCHEMBL4431126 0.74 ALKBH3 (0.37) ALKBH3LRRK2
SCHEMBL3412251 0.74 IDO1 (0.39) POLBL3MBTL1
SCHEMBL7463096 0.73 CYP2A6 (0.43) MEN1ALDH1A1MAPTCYP2C9HPGD
SCHEMBL10343150 0.73 PLA2G7 (0.47) ALKBH3MAOAMAOBTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed