SCHEMBL28292088

SCHEMBL28292088

CC(=O)Nc1ccc(OC(=O)CNC(=O)[C@@H](N)CS)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 3/20 0.50
OPRK1 P41145 1/20 0.49
MGLL Q99685 1/20 0.48
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL426545 0.81 KMT2A (0.58) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL1133966 0.81 KMT2A (0.58) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL1133983 0.80 PTGS1 (0.57) OPRK1MGLL
Acetaminophen SCHEMBL28292091 0.79 MAPT (0.51) KMT2AMEN1HSD17B10LMNAALDH1A1
SCHEMBL14520094 0.78 KMT2A (0.57) KMT2AMEN1OPRK1MGLLHSD17B10
Hydrochloric Acid SCHEMBL28256131 0.76 KMT2A (0.55) KMT2AMEN1OPRK1MGLLHSD17B10
SCHEMBL12291744 0.74 KMT2A (0.75) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL3805817 0.73 KMT2A (0.68) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL12254132 0.73 MGLL (0.45) OPRK1MGLL
SCHEMBL1818825 0.73 LTA4H (0.55) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2

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
CN-109758603-A A kind of Pediatric Trauma face anti-infective dressing 李正浩 2019-05-17 CN claimed
CN-109758603-A A kind of Pediatric Trauma face anti-infective dressing 李正浩 2019-05-17 CN disclosed