SCHEMBL28686269

SCHEMBL28686269

C#CCNC(=O)c1cccc2c1cnn2C(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.57
FNTA P49354 5/20 0.42
FNTB P49356 5/20 0.42
CCR1 P32246 7/20 0.41
KDM5B Q9UGL1 1/20 0.40
ALOX15 P16050 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL29506803 1.00 EZH2 (0.57) EZH2FNTAFNTBCCR1KDM5B
SCHEMBL29846416 0.78 EZH2 (0.51) EZH2ALOX15TRPV1
SCHEMBL2594393 0.78 EZH2 (0.51) EZH2ALOX15TRPV1
SCHEMBL15687571 0.78 CYP11B2 (0.56) EZH2CCR1
SCHEMBL2587384 0.77 EZH2 (0.50) EZH2TRPV1
SCHEMBL28264532 0.76 EZH2 (0.47) EZH2CCR1TRPV1
SCHEMBL30122893 0.73 EZH2 (1.00) EZH2
SCHEMBL12684416 0.73 EZH2 (1.00) EZH2
SCHEMBL29846604 0.72 EZH2 (0.51) EZH2CCR1
SCHEMBL27419359 0.71 PLK1 (0.60) ALOX15

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-113999211-B Indazole skeleton derivative containing 1,2,3-triazole with specific activity of resisting prostate cancer 郑州大学 2022-11-29 CN disclosed
CN-113999211-A Indazole skeleton derivatives containing 1,2, 3-triazole and having specific activity of resisting prostate cancer 郑州大学 2022-02-01 CN disclosed