SCHEMBL28952987

SCHEMBL28952987

C(=NNc1cccc(NN=Cc2ccccn2)n1)c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.70
KDM4E B2RXH2 8/20 0.59
HTT P42858 7/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
LMNA P02545 6/20 0.59
TDP1 Q9NUW8 5/20 0.59
L3MBTL1 Q9Y468 5/20 0.59
PKM P14618 4/20 0.59
MITF O75030 1/20 0.59
MAPT P10636 7/20 0.56
NPC1 O15118 7/20 0.56
KMT2A Q03164 6/20 0.56
GAA P10253 6/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
RAB9A P51151 9/20 0.55
NPSR1 Q6W5P4 4/20 0.55

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
SCHEMBL5051613 0.89 PAX8 (0.65) PAX8KDM4EHTTSMN1; SMN2LMNA
SCHEMBL29631623 0.89 PAX8 (0.65) PAX8KDM4EHTTSMN1; SMN2LMNA
SCHEMBL8342118 0.89 PAX8 (0.65) PAX8KDM4EHTTSMN1; SMN2LMNA
SCHEMBL29692738 0.83 PAX8 (1.00) PAX8KDM4EHTTSMN1; SMN2LMNA
SCHEMBL1164645 0.83 PAX8 (1.00) PAX8KDM4EHTTSMN1; SMN2LMNA
SCHEMBL1164644 0.83 PAX8 (1.00) PAX8KDM4EHTTSMN1; SMN2LMNA
SCHEMBL30197879 0.81 PAX8 (0.60) PAX8KDM4EHTTSMN1; SMN2LMNA
SCHEMBL17560758 0.81 PAX8 (0.59) PAX8KDM4EHTTSMN1; SMN2LMNA
SCHEMBL17560762 0.81 PAX8 (0.59) PAX8KDM4EHTTSMN1; SMN2LMNA
SCHEMBL19456444 0.80 PAX8 (0.66) PAX8KDM4EHTTSMN1; SMN2LMNA

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
CN-115677737-A Rare earth complex with potential anti-tumor effect and preparation method thereof 沈阳化工大学 2023-02-03 CN disclosed