SCHEMBL11779336

SCHEMBL11779336

CCCCN(CCCCCCN(CCCC)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.59
▸ MAPT P10636 2/20 0.49

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
SCHEMBL11782556 0.97 KCNH2 (0.62) KCNH2MAPT
SCHEMBL11776699 0.91 KCNH2 (0.60) KCNH2
SCHEMBL11780168 0.82 KCNH2 (0.78) KCNH2
SCHEMBL1206139 0.80 HRH3 (0.58) KCNH2MAPT
SCHEMBL11778606 0.79 MAPT (0.76) MAPT
SCHEMBL10668211 0.79 KCNH2 (0.66) KCNH2
SCHEMBL6559657 0.79 KCNH2 (0.57) KCNH2
SCHEMBL11242679 0.78 KCNH2 (0.86) KCNH2MAPT
Nitrobenzene SCHEMBL28033286 0.78 CYP1A2 (0.59) KCNH2MAPT
SCHEMBL7231705 0.77 PYCR1 (0.55) KCNH2MAPT

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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