SCHEMBL6046932

SCHEMBL6046932

CC(C)C(=O)c1nc2c(=O)[nH]c(N)nc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNP P00491 8/20 0.42
HPRT1 P00492 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.35
HBB P68871 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34
VCP P55072 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
PDE3A Q14432 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
SCHEMBL453174 0.84 PNP (0.49) PNPHPRT1MEN1KMT2AMAPK1
SCHEMBL6046944 0.83 KDM4E (0.33) PNPMAPK1ALDH1A1
SCHEMBL4813936 0.65 PNP (0.70) PNPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL7200361 0.65 PNP (0.46) PNPHPRT1MEN1KMT2AHBB
Hydrochloric Acid SCHEMBL8341140 0.63 PNP (0.59) PNPHPRT1MAPK1HBB
SCHEMBL7192998 0.63 PNP (0.42) PNPHPRT1MEN1KMT2AMAPK1
SCHEMBL8344233 0.62 PNP (0.65) PNPHPRT1MEN1KMT2AALDH1A1
SCHEMBL2434143 0.62 PNP (0.57) PNPHPRT1MEN1KMT2AMAPK1
SCHEMBL20967569 0.61 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6268087 0.61 TK1 (0.58) PNPHPRT1MEN1KMT2AMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105525-B1 A PROCESS FOR PREPARING PEPTIDE NUCLEIC ACID PROBE USING POLYMERIC PHOTOACID GENERATOR SAMSUNG ELECTRONICS CO LTD (KR) 2006-11-02 EP disclosed
US-6660479-B2 Derivatizing surface of a solid matrix and attaching linker with acid- labile protecting group on solid matrix; coating solid matrix with polymeric photoacid generator(PAG); exposing solid matrix thus coated to light to generate acid; reacting SAMSUNG ELECTRONICS CO., LTD. (KR) 2003-12-09 US disclosed
US-20020122874-A1 Process for preparing peptide nucleic acid probe using polymeric photoacid generator SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-09-05 US disclosed
US-6359125-B1 DERIVATIZING SURFACE OF SOLID MATRIX WITH AMINOALKYLOXYSILANE AND ATTACHING LINKER WITH ACID-LABILE PROTECTING GROUP TO AMINE GROUP ON MATRIX, COATING MATRIX WITH POLYMERIC PHOTOACID GENERATOR, EXPOSING TO LIGHT, ATTACHING PEPTIDE NUCLEIC ACID SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-03-19 US disclosed