SCHEMBL17801704

SCHEMBL17801704

COc1ccc(C2(Cc3ccccc3)Nc3ccc(N)cc3S2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPK1 P28482 2/20 0.36
NOX1 Q9Y5S8 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RET P07949 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
SNCA P37840 2/20 0.34
ALDH1A1 P00352 2/20 0.34
G6PC1 P35575 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL30748547 0.65 RET (0.39) TDP1MAPK1RETALDH1A1MAOB
SCHEMBL7998254 0.62 SNCA (0.56) TDP1MAPK1NOX1MEN1LMNA
SCHEMBL3754208 0.62 MEN1 (0.44) TDP1NOX1MEN1GAAMAPT
Aniline SCHEMBL27848079 0.61 TDP1 (0.80) LTA4HTDP1MAPK1MEN1GAA
Benzene SCHEMBL27257767 0.61 TDP1 (0.89) LTA4HTDP1MAPK1MAPTSMN1; SMN2
SCHEMBL8828000 0.60 TDP1 (0.57) LTA4HTDP1MAPK1GAAMAPT
SCHEMBL2402112 0.60 SNCA (0.53) TDP1MAPK1NOX1MEN1LMNA
SCHEMBL28023193 0.60 LTA4H (0.45) LTA4HGAAMAPTHTTSIGMAR1
SCHEMBL2671508 0.59 LTA4H (0.60) LTA4HMEN1HTTKMT2ASIGMAR1
Biphenyl SCHEMBL16950123 0.58 TDP1 (0.73) LTA4HTDP1MAPK1MEN1LMNA

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-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed