SCHEMBL30988932

SCHEMBL30988932

NC(=C=O)C1CCn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.37
CHRM1 P11229 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL30988934 0.86 KCNH2 (0.35) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL12901772 0.78 KCNH2 (0.41) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL30988930 0.74 KCNH2 (0.37) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL1228993 0.74 CHRM1 (0.38) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL29256789 0.74 KCNH2 (0.37) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL14004048 0.74 KCNH2 (0.39) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL12518973 0.74 KCNH2 (0.39) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL12519017 0.74 KCNH2 (0.38) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL12519219 0.72 KCNH2 (0.35) KCNH2CHRM1PTGS1SLC6A2SLC6A4
SCHEMBL5544495 0.72 CHRM1 (0.41) KCNH2CHRM1PTGS1SLC6A2SLC6A4

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
CN-118344384-A Compounds and uses thereof 丹诺医药(苏州)有限公司 2024-07-16 CN disclosed