SCHEMBL4431124

SCHEMBL4431124

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
ALKBH3 Q96Q83 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LRRK2 Q5S007 1/20 0.33
EIF4E P06730 1/20 0.32
PLA2G7 Q13093 1/20 0.32
GRM2 Q14416 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
SCHEMBL4608929 0.86 PTPN1 (0.38) MEN1ALDH1A1TP53MAPTHPGD
SCHEMBL4428493 0.83 GABRA1 (0.34) ALDH1A1MAPTKMT2ASMN1; SMN2PLA2G7
SCHEMBL4429990 0.81 ELANE (0.38) ELANENPC1MEN1USP2ALDH1A1
SCHEMBL6852286 0.81 KMT2A (0.43) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL4439261 0.79 HSD11B1 (0.42) EIF4EHSD11B1
SCHEMBL4433438 0.79 MAOB (0.37) ELANENPC1RAB9AALDH1A1TP53
SCHEMBL5963724 0.79 ALKBH3 (0.34) ALKBH3LRRK2
SCHEMBL22115865 0.78
SCHEMBL13176930 0.77 PLA2G7 (0.50) ELANEALKBH3NPC1RAB9AMEN1
SCHEMBL5086316 0.76 ALKBH3 (0.35) ALKBH3MEN1USP2ALDH1A1MAPT

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 2 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