SCHEMBL9628053

SCHEMBL9628053

O=[N+]([O-])c1ccc(CCNCCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.73
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA12 O43570 1/20 0.64
CA4 P22748 1/20 0.64
CHRM2 P08172 1/20 0.62
TSHR P16473 1/20 0.62
LOXL2 Q9Y4K0 1/20 0.55
KCNJ1 P48048 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TAAR1 Q96RJ0 1/20 0.53
CDC25C P30307 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
CNR1 P21554 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL28487383 0.93 MEN1 (0.75) KCNH2MEN1KMT2ACA1CA2
SCHEMBL7939602 0.91 KCNH2 (0.63) KCNH2MEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL28638069 0.91 MEN1 (0.73) KCNH2MEN1KMT2ACA1CA2
SCHEMBL259753 0.91 TSHR (0.68) KCNH2MEN1KMT2ACA1CA2
SCHEMBL9255201 0.91 KCNH2 (0.63) KCNH2MEN1KMT2ACA1CA2
SCHEMBL16681892 0.90 CA1 (0.77) KCNH2MEN1KMT2ACA1CA2
SCHEMBL9255649 0.89 KCNH2 (0.61) KCNH2MEN1KMT2ACA1CA2
SCHEMBL8780928 0.89 KCNH2 (0.60) KCNH2MEN1KMT2ACA1CA2
SCHEMBL9450937 0.88 TSHR (0.64) KCNH2MEN1KMT2ACA1CA2
SCHEMBL8780888 0.88 KCNH2 (0.60) KCNH2MEN1KMT2ACA1CA2

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