SCHEMBL30988934

SCHEMBL30988934

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
CHRM1 P11229 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL30988932 0.86 KCNH2 (0.37) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL12901772 0.79 KCNH2 (0.41) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL14004048 0.75 KCNH2 (0.39) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL29256789 0.75 KCNH2 (0.37) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL12518973 0.75 KCNH2 (0.39) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL1228993 0.75 CHRM1 (0.38) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL12519017 0.75 KCNH2 (0.38) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL14004035 0.73 KCNH2 (0.38) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL14004031 0.73 KCNH2 (0.38) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL12519219 0.73 KCNH2 (0.35) KCNH2CHRM1ALDH1A1PTGS1SLC6A2

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