SCHEMBL11110577

SCHEMBL11110577

CCc1ccccc1N(COCC(CC)CC)C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TP53 P04637 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 2/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
NR1I2 O75469 1/20 0.45
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
PAX8 Q06710 3/20 0.37
JAK2 O60674 2/20 0.37
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
RNF4 P78317 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 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
SCHEMBL9863632 0.86 ALDH1A1 (0.66) ALDH1A1TP53TDP1CYP3A4KMT2A
SCHEMBL8378909 0.80 TDP1 (0.76) ALDH1A1TP53TDP1CYP3A4KMT2A
SCHEMBL4339458 0.78 TP53 (0.60) ALDH1A1TP53TDP1CYP3A4KMT2A
Ethane SCHEMBL27359121 0.77 ALDH1A1 (0.59) ALDH1A1TP53TDP1CYP3A4KMT2A
SCHEMBL10622818 0.74 TP53 (0.41) ALDH1A1TP53TDP1CYP3A4KMT2A
SCHEMBL31199167 0.74 TP53 (0.50) ALDH1A1TP53TDP1CYP3A4KMT2A
SCHEMBL27352642 0.74 TP53 (0.64) ALDH1A1TP53TDP1CYP3A4KMT2A
SCHEMBL9614304 0.73 ALDH1A1 (0.64) ALDH1A1TP53TDP1CYP3A4KMT2A
SCHEMBL9066705 0.73 TP53 (0.51) ALDH1A1TP53TDP1CYP3A4KMT2A
SCHEMBL10627183 0.73 PAX8 (0.43) ALDH1A1TP53TDP1CYP3A4KMT2A

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-0060423-B1 2-PYRIDYLOXYACETANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed