SCHEMBL6645241

SCHEMBL6645241

O=C(O)OC1=NOC(Cc2ccc(Cl)cc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
NR4A2 P43354 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 3/20 0.36
KDM4C Q9H3R0 1/20 0.36
F10 P00742 1/20 0.36
S1PR1 P21453 1/20 0.35
LTK P29376 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
S1PR5 Q9H228 1/20 0.35
FFAR1 O14842 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL168434 0.85 CYP3A4 (0.42) SLC6A2SLC6A4L3MBTL1MEN1KMT2A
SCHEMBL1830918 0.81 LMNA (0.49) NR4A2KMT2A
SCHEMBL6641706 0.78 KDM4E (0.40) CYP1A2CYP2C19
SCHEMBL9312028 0.77 F10 (0.41) L3MBTL1KMT2AP2RX7F10HPGD
SCHEMBL342161 0.75 L3MBTL1 (0.52) L3MBTL1MEN1CYP2C19KMT2A
SCHEMBL904384 0.75
SCHEMBL2444530 0.73 MARS1 (0.42) MEN1KMT2A
SCHEMBL28144956 0.73 IDO1 (0.37) CYP1A2CYP2C19
SCHEMBL27909618 0.71 F10 (0.35) F10
SCHEMBL29452686 0.66 IDO1 (0.41) CYP1A2CYP2C19

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-1478628-A1 2-AMINO-4-BICYCLYL AMINO-6H-1.3.5-TRIAZINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience GmbH (DE) 2004-11-24 EP disclosed
WO-2003070710-A1 2-AMINO-4-BICYCLYL AMINO-6H-1.3.5-TRIAZINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2003-08-28 WO disclosed