SCHEMBL8100488

SCHEMBL8100488

CCCCOCN(C(=O)CCl)c1c(C)cccc1C

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
TP53 P04637 6/20 0.66
ALDH1A1 P00352 5/20 0.66
CYP3A4 P08684 1/20 0.66
NR1I2 O75469 1/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PAX8 Q06710 3/20 0.45
GPX4 P36969 1/20 0.45
JAK2 O60674 2/20 0.44
POLB P06746 1/20 0.39
TSHR P16473 3/20 0.37
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 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
Butachlor SCHEMBL23242441 0.89 TDP1 (0.84) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL8534756 0.89 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL29634930 0.89 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL135983 0.89 TDP1 (0.65) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL11792176 0.88 TDP1 (0.59) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL10536548 0.87 ALDH1A1 (0.84) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL4891145 0.86 TDP1 (1.00) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL65784 0.86 TDP1 (1.00) TDP1MEN1KMT2ATP53ALDH1A1
SCHEMBL10735362 0.86 TDP1 (0.61) TDP1MEN1KMT2ATP53ALDH1A1
Butachlor SCHEMBL8343198 0.85 TDP1 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281521-B1 HERBICIDAL COMPOSITIONS CIBA-GEIGY AG (CH) 1992-07-08 EP claimed
JP-2000281513-A MIXED HERBICIDAL COMPOSITION KUMIAI CHEM IND CO LTD 2000-10-10 JP disclosed