SCHEMBL6163946

SCHEMBL6163946

CC1(C)Oc2cc([N+](=O)[O-])c(NC(=O)C3CC3)cc2C2OC21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
HCAR3 P49019 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL12961840 0.87 KCNH2 (0.42) KCNH2ALDH1A1MAPTLMNANPSR1
SCHEMBL6161775 0.87 KCNH2 (0.42) KCNH2ALDH1A1MAPTLMNANPSR1
SCHEMBL13951737 0.87 KCNH2 (0.42) KCNH2ALDH1A1MAPTLMNANPSR1
SCHEMBL14765557 0.87 KCNH2 (0.42) KCNH2ALDH1A1MAPTLMNANPSR1
SCHEMBL6163980 0.86 KCNH2 (0.47) KCNH2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL9742503 0.82 NPSR1 (0.41) KCNH2ALDH1A1MAPTLMNANPSR1
SCHEMBL6978258 0.82 HCAR3 (0.52) KCNH2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6980817 0.80 KCNH2 (0.56) KCNH2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL27485566 0.79 HCAR3 (0.41) KCNH2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL6982472 0.77 KCNH2 (0.55) KCNH2ALDH1A1MAPTL3MBTL1LMNA

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-1212314-B1 BENZOPYRAN DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2005-11-30 EP disclosed
US-6589983-B1 Antiarrhythmic agents having the prolongation effect on the functional refractory period as a main function NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-08 US disclosed
EP-1212314-A1 BENZOPYRAN DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2002-06-12 EP disclosed
WO-2001021610-A1 BENZOPYRAN DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed