SCHEMBL6572322

SCHEMBL6572322

O=[N+]([O-])c1ccc(OCCBr)c(-n2cccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL2061679 0.80 PTGDR2 (0.61) MAPTLMNANPSR1SMN1; SMN2RAB9A
SCHEMBL22117910 0.77 S1PR4 (0.44) MAPTHPGDLMNANPSR1SMN1; SMN2
SCHEMBL31174878 0.77 S1PR4 (0.44) MAPTHPGDLMNANPSR1SMN1; SMN2
SCHEMBL6575773 0.77 MEN1 (0.56) MAPTHPGDLMNASMN1; SMN2RAB9A
SCHEMBL6572919 0.77 KCNH2 (0.61) KMT2ATDP1RECQLCHRNB2CHRNA4
SCHEMBL6572326 0.76 RECQL (0.43) MAPTLMNANPSR1SMN1; SMN2CYP3A4
SCHEMBL3857759 0.76 MAPT (0.63) MAPTHPGDLMNANPSR1SMN1; SMN2
SCHEMBL2061280 0.75 MAPT (0.50) MAPTHPGDLMNANPSR1SMN1; SMN2
SCHEMBL1929569 0.74 MAPT (0.58) MAPTHPGDLMNANPSR1SMN1; SMN2
SCHEMBL9824820 0.74 MAPT (0.52) MAPTHPGDLMNANPSR1SMN1; SMN2

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-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed