SCHEMBL24022840

SCHEMBL24022840

CC(=O)Nc1ccc(-c2nncnn2)cc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ MAPT P10636 4/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HDAC1 Q13547 3/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC3 O15379 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
SCHEMBL24022835 0.82 HDAC1 (0.52) CA1CA2CA9MAPTNPC1
SCHEMBL24022799 0.73 TP53 (0.36) MAPTKDM4EHDAC6HDAC2TP53
SCHEMBL10852754 0.72 CA1 (0.60) CA1CA2CA9MAPTNPC1
SCHEMBL24022757 0.72 MAPT (0.42) MAPTNPC1POLBRAB9AALDH1A1
SCHEMBL6174301 0.71 NEU3 (0.56) CA1CA2CA9MAPTNPC1
SCHEMBL24022829 0.71 CASP1 (0.36) MAPTKDM4ETP53
SCHEMBL22043755 0.71 KDM4E (0.44) MAPTKDM4ETP53
SCHEMBL22501545 0.70 CA1 (0.54) CA1CA2CA9MAPTNPC1
SCHEMBL5597892 0.69 ALDH1A1 (0.58) CA1CA2CA9MAPTNPC1
SCHEMBL9332922 0.69 KDM4E (0.62) CA1CA2CA9MAPTNPC1

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
WO-2021228992-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET (DK) 2021-11-18 — — WO disclosed
EP-3909944-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY Rigshospitalet (DK) 2021-11-17 — — EP disclosed
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