SCHEMBL11776699

SCHEMBL11776699

CCN(CCCCCCCCN(CC)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.60

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
SCHEMBL11779336 0.91 KCNH2 (0.59) KCNH2
SCHEMBL11782556 0.91 KCNH2 (0.62) KCNH2
SCHEMBL11780168 0.83 KCNH2 (0.78) KCNH2
SCHEMBL3157181 0.81 CYP2C19 (0.59) KCNH2
SCHEMBL11782775 0.79 MAPT (0.58) —
SCHEMBL7386370 0.78 KCNH2 (0.53) KCNH2
SCHEMBL7388696 0.78 KCNH2 (0.53) KCNH2
SCHEMBL5632454 0.77 KCNH2 (0.83) KCNH2
SCHEMBL4416673 0.76 HSPB1 (0.59) KCNH2
SCHEMBL10511052 0.76 KCNH2 (0.67) KCNH2

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
US-3940441-A BACTERICIDE STERLING DRUG INC. (US) 1976-02-24 — — US disclosed
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