SCHEMBL6167712

SCHEMBL6167712

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@H](O)[C@H]2NCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
KCNA5 P22460 6/20 0.40
ABCB1 P08183 3/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 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
SCHEMBL6167716 1.00 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTKCNA5
SCHEMBL6167720 1.00 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTKCNA5
SCHEMBL6166252 0.97 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTKCNA5
SCHEMBL6166248 0.97 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTKCNA5
SCHEMBL6166243 0.97 KCNH2 (0.49) KCNH2NPC1RAB9AMAPTKCNA5
SCHEMBL6807010 0.87 KCNH2 (0.49) KCNH2MAPTABCB1ALDH1A1LMNA
SCHEMBL6922866 0.87 KCNH2 (0.49) KCNH2MAPTABCB1ALDH1A1LMNA
SCHEMBL6807009 0.87 KCNH2 (0.49) KCNH2MAPTABCB1ALDH1A1LMNA
SCHEMBL6172086 0.87 KCNH2 (0.53) KCNH2MAPTKCNA5MEN1KMT2A
SCHEMBL6172074 0.87 KCNH2 (0.53) KCNH2MAPTKCNA5MEN1KMT2A

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