SCHEMBL9737428

SCHEMBL9737428

CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.59
LSS P48449 2/20 0.44
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9737655 0.89 KCNH2 (0.59) KCNH2LSSBCHEACHELMNA
SCHEMBL9675487 0.81 CDC25C (0.55) KCNH2ACHEMEN1KMT2A
SCHEMBL9736462 0.81 KCNH2 (0.58) KCNH2LSSBCHEACHELMNA
SCHEMBL5936119 0.79 MAPT (0.46) LMNAMAPTMEN1KMT2A
SCHEMBL9737271 0.78 MAPT (0.45) KCNH2LMNAPOLBMAPTKMT2A
SCHEMBL9738867 0.76 ALDH1A1 (0.38) KCNH2CHRNB2CHRNA4LMNAPOLB
SCHEMBL8810787 0.75 KCNH2 (0.81) KCNH2ACHELMNAMEN1KMT2A
SCHEMBL6231424 0.74 TTR (0.43) ACHELMNAMAPTKMT2A
SCHEMBL6231422 0.74 TTR (0.43) ACHELMNAMAPTKMT2A
SCHEMBL9736383 0.74 KCNH2 (0.50) KCNH2ACHELMNA

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-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed