SCHEMBL4767509

SCHEMBL4767509

CCCCOCN(C(=O)CCl)c1c(C)cccc1C(C)(C)C.CCNc1nc(NC(C)(C)C)nc(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR1I2 O75469 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29634930 0.83 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8534756 0.83 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL135983 0.83 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
Terbuthylazine SCHEMBL9702935 0.82 TDP1 (0.38) TDP1MEN1KMT2ATP53ALDH1A1
Acetochlor SCHEMBL19463033 0.76 TP53 (0.63) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11796525 0.74 TDP1 (0.51) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8100488 0.74 TDP1 (0.76) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL8605298 0.71 TDP1 (0.69) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL27260855 0.71 TDP1 (0.68) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8201328 0.71 TP53 (0.59) TDP1MEN1KMT2ATP53ALDH1A1

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
EP-1478628-B1 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 AG (DE) 2008-10-08 EP disclosed