SCHEMBL5050469

SCHEMBL5050469

CC(C)(C)c1ccc(COC(=O)Nc2nc(Cl)c3ncn(C(Cc4ccccc4)C(=O)O)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NR2F2 P24468 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
MAP3K5 Q99683 1/20 0.38
MCL1 Q07820 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
ACHE P22303 2/20 0.36
SCD O00767 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL5048124 0.92 MAP3K5 (0.40) SMN1; SMN2MAPTMAP3K5CCNE1CDK2
SCHEMBL5051783 0.90 MAP3K5 (0.40) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL5048107 0.82 ACHE (0.38) SMN1; SMN2MAPTCCNE1CDK2ACHE
SCHEMBL5045348 0.82 ACHE (0.37) MAPTCCNE2CCNA2CCNE1CDK2
SCHEMBL7617736 0.81 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL9079905 0.77 MEN1 (0.42) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL7843904 0.74 SCD (0.43) SMN1; SMN2ACHESCDNPC1RAB9A
SCHEMBL14477481 0.72 RAB9A (0.46) SMN1; SMN2MEN1KMT2AALDH1A1CCNE2
SCHEMBL6269147 0.69 CDK2 (0.42) SMN1; SMN2MAP3K5CCNA2CCNE1CDK2
SCHEMBL9079453 0.68 BCHE (0.37) KMT2AACHE

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-1873156-A1 Process for the preparation of 6-[[(alkoxy)carbonyl]amino]-9H-Purine-9-acetic acid and 4-[(alkoxycarbonyl)amino]-2-oxo-1(2H)-Pyrimidineacetic acid derivatives as synthons for the synthesis of peptide nucleic acids PerSeptive Biosystems, Inc. (US) 2008-01-02 EP disclosed
EP-0736027-B1 GUANINE SYNTHONS FOR PEPTIDE NUCLEIC ACID SYNTHESIS AND METHOD FOR PRODUCTION PERSEPTIVE BIOSYSTEMS INC (US) 2002-05-29 EP disclosed