SCHEMBL30984084

SCHEMBL30984084

CC1(Oc2ncnc(NCc3ccccn3)c2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA13 Q8N1Q1 3/20 0.44
HTT P42858 3/20 0.42
RECQL P46063 1/20 0.40
CTSB P07858 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
EGFR P00533 1/20 0.38
MGMT P16455 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL30984080 0.96 CA1 (0.42) CA1CA2CA7CA13HTT
SCHEMBL31269514 0.87 CA1 (0.44) CA1CA2CA7CA13HTT
SCHEMBL30983876 0.86 HTT (0.59) CA1CA2CA7CA13HTT
SCHEMBL30983869 0.83 CA1 (0.42) CA1CA2CA7CA13HTT
SCHEMBL30984100 0.82 CA1 (0.43) CA1CA2CA7CA13HTT
SCHEMBL31269407 0.82 CTSB (0.39) HTTRECQLCTSBCCNA2CDK2
SCHEMBL30984046 0.80 CA1 (0.41) CA1CA2CA7CA13HTT
SCHEMBL30984020 0.79 CA1 (0.59) CA1CA2CA7CA13HTT
SCHEMBL30983967 0.78 RECQL (0.42) HTTRECQLALDH1A1NPC1KDM4E
SCHEMBL30983848 0.76 ALDH1A1 (0.51) CA1CA2CA7CA13HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4689155-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS Astrazeneca AB (SE) 2026-02-11 EP disclosed
EP-4630410-A1 POLQ INHIBITORS Astrazeneca AB (SE) 2025-10-15 EP disclosed
WO-2024201368-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS ASTRAZENECA AB (SE) 2024-10-03 WO disclosed
WO-2024121753-A1 POLQ INHIBITORS ASTRAZENECA AB (SE) 2024-06-13 WO disclosed