SCHEMBL11747799

SCHEMBL11747799

CCCc1ccccc1N(CC1OCCO1)C(=O)CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
TP53 P04637 5/20 0.41
NR1I2 O75469 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
RAB9A P51151 8/20 0.39
NPC1 O15118 7/20 0.39
PAX8 Q06710 5/20 0.39
JAK2 O60674 2/20 0.39
CYP3A4 P08684 1/20 0.38
HTT P42858 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL11747270 0.92 TP53 (0.45) ALDH1A1TP53NR1I2KMT2AMEN1
SCHEMBL11798882 0.89 TP53 (0.42) ALDH1A1TP53NR1I2KMT2AMEN1
SCHEMBL11750233 0.86 TP53 (0.48) ALDH1A1TP53NR1I2KMT2AMEN1
SCHEMBL11744133 0.82 ALDH1A1 (0.54) ALDH1A1TP53KMT2AMEN1TDP1
SCHEMBL11385609 0.82 TP53 (0.58) ALDH1A1TP53NR1I2KMT2AMEN1
SCHEMBL11747345 0.81 TP53 (0.41) ALDH1A1TP53NR1I2KMT2AMEN1
SCHEMBL11746091 0.81 TP53 (0.46) ALDH1A1TP53NR1I2KMT2AMEN1
SCHEMBL11744292 0.81 TP53 (0.46) ALDH1A1TP53NR1I2KMT2AMEN1
SCHEMBL11748862 0.80 TDP1 (0.42) ALDH1A1TP53NR1I2KMT2AMEN1
SCHEMBL11745389 0.79 TDP1 (0.50) ALDH1A1TP53NR1I2KMT2AMEN1

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
US-4053297-A COMPRISING AN ANILIDE DERIVATIVE AND AN N-SUBSTITUTED 2,2-DICHLOROACETAMIDE VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed