SCHEMBL6163980

SCHEMBL6163980

CCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)C1OC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
HCAR3 P49019 1/20 0.34

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 0.88 KCNH2 (0.42) KCNH2LMNAALDH1A1MAPTKMT2A
SCHEMBL6161775 0.88 KCNH2 (0.42) KCNH2LMNAALDH1A1MAPTKMT2A
SCHEMBL14765557 0.88 KCNH2 (0.42) KCNH2LMNAALDH1A1MAPTKMT2A
SCHEMBL13951737 0.88 KCNH2 (0.42) KCNH2LMNAALDH1A1MAPTKMT2A
SCHEMBL6980817 0.87 KCNH2 (0.56) KCNH2LMNAALDH1A1MAPTKMT2A
SCHEMBL6163946 0.86 KCNH2 (0.44) KCNH2LMNAALDH1A1MAPTKMT2A
SCHEMBL6982472 0.83 KCNH2 (0.55) KCNH2LMNAALDH1A1MAPTKMT2A
SCHEMBL9742503 0.83 NPSR1 (0.41) KCNH2LMNAALDH1A1MAPTKMT2A
SCHEMBL6978258 0.83 HCAR3 (0.52) KCNH2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6583582 0.83 KCNH2 (0.70) KCNH2LMNAALDH1A1MAPTKMT2A

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