SCHEMBL24022759

SCHEMBL24022759

CC(=O)Nc1cc(C)cc(/C(N)=N/N=C\N)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ FURIN P09958 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ USP2 O75604 1/20 0.33

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
SCHEMBL24022832 0.80 PRSS1 (0.43) ALDH1A1
SCHEMBL24038700 0.79 PARP1 (0.41) MEN1KMT2ACYP3A4THRBLMNA
SCHEMBL24022753 0.78 HDAC8 (0.36) MEN1KMT2ATHRBTDP1ALDH1A1
SCHEMBL24022841 0.74 NEU3 (0.46) MEN1KMT2ACYP1A2LMNAALDH1A1
SCHEMBL22043790 0.73 PRSS1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10148977 0.72 TPMT (0.59) MEN1KMT2AHSD17B10THRBLMNA
SCHEMBL12781878 0.71 MEN1 (0.70) MEN1KMT2AHSD17B10CYP1A2CYP3A4
SCHEMBL849875 0.71 MEN1 (0.77) MEN1KMT2AHSD17B10CYP1A2CYP3A4
SCHEMBL24038968 0.71 NPC1 (0.41) MEN1KMT2ACYP3A4MAPTATM
SCHEMBL24022836 0.70 HDAC1 (0.62) CYP1A2CYP3A4ALDH1A1MAPTKDM4E

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
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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