SCHEMBL5310808

SCHEMBL5310808

O=C(O)CN(CC(=O)O)C(=O)N(Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
GLA P06280 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.36
PAX8 Q06710 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MITF O75030 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKR1B1 P15121 1/20 0.34
HDAC3 O15379 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL11115139 0.81 NPSR1 (0.56) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL16599595 0.81 ALDH1A1 (0.55) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL4201822 0.77 NPSR1 (0.52) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL11848125 0.77 ALDH1A1 (0.42) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL2728438 0.75 ALDH1A1 (0.47) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL560266 0.74 NPSR1 (0.48) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL20360661 0.73 ALDH1A1 (0.55) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL3730131 0.72 NPSR1 (0.50) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL938835 0.72 NPC1 (0.44) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL1058455 0.70 ALDH1A1 (0.40) NPSR1ALDH1A1KMT2ANPC1HTT

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
WO-2007044309-A2 DEVICE AND METHOD FOR INHIBITING AGE COMPLEX FORMATION VASIX CORPORATION (US) 2007-04-19 WO disclosed