SCHEMBL7445072

SCHEMBL7445072

CC(CCC(=O)OCSc1ccc2ccccc2n1)C(C)P=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 8/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
RXFP1 Q9HBX9 5/20 0.45
NPSR1 Q6W5P4 4/20 0.45
MAPK10 P53779 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 5/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.36
PTBP1 P26599 1/20 0.35
KCNK2 O95069 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7449789 0.75 PRNP (0.57) PRNPKMT2AMEN1RXFP1NPSR1
SCHEMBL8764852 0.69 PRNP (0.57) PRNPKMT2AMEN1RXFP1NPSR1
SCHEMBL7445079 0.67 PRNP (0.47) PRNPKMT2AMEN1RXFP1NPSR1
SCHEMBL19810775 0.67 PRNP (0.57) PRNPKMT2AMEN1RXFP1NPSR1
SCHEMBL29981129 0.67 PRNP (0.57) PRNPKMT2AMEN1RXFP1NPSR1
SCHEMBL7052149 0.66 PRNP (0.46) PRNPKMT2AMEN1RXFP1NPSR1
SCHEMBL14925239 0.64 CYSLTR2 (0.55) CYP1A2CYSLTR2CYSLTR1
SCHEMBL9286381 0.64 PRNP (1.00) PRNPKMT2AMEN1RXFP1NPSR1
SCHEMBL1613311 0.63 PRNP (1.00) PRNPKMT2AMEN1RXFP1NPSR1
SCHEMBL7052147 0.62 PRNP (0.47) PRNPKMT2AMEN1RXFP1NPSR1

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-0712403-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-05-22 EP disclosed
WO-1995004735-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-02-16 WO disclosed