SCHEMBL9628028

SCHEMBL9628028

CN(CCc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.74
SIGMAR1 Q99720 1/20 0.70
CDC25C P30307 3/20 0.59
TSHR P16473 1/20 0.58
PYCR1 P32322 1/20 0.54
MEN1 O00255 1/20 0.53
THRB P10828 1/20 0.53
APEX1 P27695 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
KCNJ1 P48048 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51

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
SCHEMBL13897015 0.93 KCNH2 (0.72) KCNH2SIGMAR1CDC25CTSHRMEN1
SCHEMBL9628754 0.92 KCNH2 (0.65) KCNH2SIGMAR1CDC25CTSHRPYCR1
SCHEMBL3143117 0.91 KCNH2 (0.64) KCNH2SIGMAR1CDC25CTSHRPYCR1
Hydrochloric Acid SCHEMBL9628308 0.90 SIGMAR1 (0.64) KCNH2SIGMAR1CDC25CTSHRPYCR1
SCHEMBL777298 0.89 KCNH2 (0.60) KCNH2SIGMAR1CDC25CTSHRPYCR1
SCHEMBL3929250 0.86 KCNH2 (1.00) KCNH2SIGMAR1CDC25C
SCHEMBL9628032 0.86 KCNH2 (0.63) KCNH2SIGMAR1CDC25CTSHRPYCR1
SCHEMBL3149347 0.85 ALDH1A1 (0.63) KCNH2SIGMAR1CDC25CPYCR1MEN1
SCHEMBL7596877 0.85 ALDH1A1 (0.63) KCNH2SIGMAR1CDC25CPYCR1MEN1
SCHEMBL13354551 0.85 KCNH2 (0.58) KCNH2SIGMAR1CDC25CTSHRPYCR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245997-B1 N-SUBSTITUTED P-AMINOETHYLSULPHON ANILIDES AS ANTIARRHYTHMIC AGENTS, AND INTERMEDIATES THEREFOR Pfizer Limited (GB) 1992-04-15 EP disclosed
US-5079248-A Antifibrillatory agents; side effect reduction PFIZER INC. (US) 1992-01-07 US disclosed
US-4959366-A Anti-arrhythmic agents PFIZER INC. (US) 1990-09-25 US disclosed
EP-0245997-A2 N-substituted p-aminoethylsulphon anilides as antiarrhythmic agents, and intermediates therefor Pfizer Limited (GB) 1987-11-19 EP disclosed