SCHEMBL30984020

SCHEMBL30984020

COc1ccc(CNc2ncnc(OC3(C)CC3)c2[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA7 P43166 3/20 0.59
CA13 Q8N1Q1 3/20 0.59
NPC1 O15118 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 5/20 0.48
ALDH1A1 P00352 1/20 0.48
EGFR P00533 3/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.45
NR2F2 P24468 1/20 0.45
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IGF1R P08069 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL30983876 0.88 HTT (0.59) CA1CA2CA7CA13NPC1
SCHEMBL31269026 0.81 CA1 (0.46) CA1CA2CA7CA13NPC1
SCHEMBL31269514 0.81 CA1 (0.44) CA1CA2CA7CA13NPC1
SCHEMBL30984084 0.79 CA1 (0.44) CA1CA2CA7CA13NPC1
SCHEMBL4897695 0.79 CA1 (0.57) CA1CA2CA7CA13NPC1
SCHEMBL30984100 0.78 CA1 (0.43) CA1CA2CA7CA13NPC1
SCHEMBL31268881 0.77 KMT2A (0.45) CA1CA2CA7CA13NPC1
SCHEMBL30983869 0.77 CA1 (0.42) CA1CA2CA7CA13NPC1
SCHEMBL30984046 0.76 CA1 (0.41) CA1CA2CA7CA13NPC1
SCHEMBL30984080 0.76 CA1 (0.42) CA1CA2CA7CA13NPC1

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
EP-4630410-A1 POLQ INHIBITORS Astrazeneca AB (SE) 2025-10-15 EP disclosed
WO-2024121753-A1 POLQ INHIBITORS ASTRAZENECA AB (SE) 2024-06-13 WO disclosed