SCHEMBL27855641

SCHEMBL27855641

CCNC(N)(CCCNC(=N)N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SPHK1 Q9NYA1 3/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL28827545 0.85 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL6130815 0.79 ALOX15 (0.39) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL202490 0.78 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL6431682 0.78 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL161929 0.78 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL16447241 0.78 NPY4R (0.32) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL16446673 0.78 NPY4R (0.32) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL27751170 0.78 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL263015 0.78 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9114272 0.77 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; 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-102015628-B Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid CTI BIO 2015-04-22 CN disclosed
CN-102015628-A Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid CTI BIO 2011-04-13 CN disclosed