SCHEMBL30988922

SCHEMBL30988922

CC1(CN)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.58
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 1/20 0.36
CHRM1 P11229 1/20 0.33
SOS1 Q07889 1/20 0.31
MITF O75030 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30988928 1.00 KCNH2 (0.58) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL19544879 1.00 KCNH2 (0.58) KCNH2CACNA1CSCN5APTGS1SLC6A2
Trifluoroacetic Acid SCHEMBL5542817 0.90 KCNH2 (0.57) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL16624944 0.88 KCNH2 (0.59) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL30988920 0.87 KCNH2 (0.60) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5545216 0.86 KCNH2 (0.58) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL14562959 0.86 KCNH2 (0.58) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL1229290 0.86 KCNH2 (0.58) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5544271 0.84 KCNH2 (0.56) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL14004055 0.83 KCNH2 (0.55) KCNH2CACNA1CSCN5APTGS1SLC6A2

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