SCHEMBL24038700

SCHEMBL24038700

Cc1cc(C(N)=O)cc(/C(N)=N/N=C\N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.41
▸ DHODH Q02127 3/20 0.35
▸ TPMT P51580 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ C1S P09871 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PKM P14618 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL24022832 0.88 PRSS1 (0.43) PARP1TPMTNPC1RAB9APRSS1
SCHEMBL24022753 0.86 HDAC8 (0.36) PARP1TPMTNPC1RAB9APRSS1
SCHEMBL24038958 0.83 PARP1 (0.41) PARP1DHODHPKMKDM4EMEN1
SCHEMBL22043790 0.80 PRSS1 (0.33) NPC1RAB9APRSS1PRSS2C1S
SCHEMBL24022759 0.79 MEN1 (0.44) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL12865158 0.78 PARP1 (0.60) PARP1DHODHTPMTPRSS1PRSS2
SCHEMBL24038968 0.78 NPC1 (0.41) PARP1NPC1RAB9APRSS1PRSS2
SCHEMBL24039068 0.75 PTGS2 (0.32) L3MBTL1
SCHEMBL22043792 0.75 PARP1 (0.50) PARP1NPC1RAB9APKMMEN1
SCHEMBL24022830 0.74 MKNK1 (0.38) NPC1RAB9APRSS1PRSS2PRSS3

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
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
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