SCHEMBL6893115

SCHEMBL6893115

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@@H]2OCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
MAPT P10636 3/20 0.42
CYP19A1 P11511 1/20 0.41
RAB9A P51151 4/20 0.38
NPC1 O15118 4/20 0.38
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
HTT P42858 1/20 0.35
MGAT2 Q10469 1/20 0.35

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
SCHEMBL6893102 1.00 KCNH2 (0.48) KCNH2MAPTCYP19A1RAB9ANPC1
SCHEMBL6893109 1.00 KCNH2 (0.48) KCNH2MAPTCYP19A1RAB9ANPC1
SCHEMBL6579244 0.87 KCNH2 (0.67) KCNH2MAPTRAB9ANPC1LMNA
SCHEMBL6579258 0.87 KCNH2 (0.67) KCNH2MAPTRAB9ANPC1LMNA
SCHEMBL6579255 0.87 KCNH2 (0.67) KCNH2MAPTRAB9ANPC1LMNA
SCHEMBL6166252 0.81 KCNH2 (0.49) KCNH2MAPTCYP19A1RAB9ANPC1
SCHEMBL6166248 0.81 KCNH2 (0.49) KCNH2MAPTCYP19A1RAB9ANPC1
SCHEMBL6166243 0.81 KCNH2 (0.49) KCNH2MAPTCYP19A1RAB9ANPC1
SCHEMBL6167720 0.81 KCNH2 (0.49) KCNH2MAPTCYP19A1RAB9ANPC1
SCHEMBL6167712 0.81 KCNH2 (0.49) KCNH2MAPTCYP19A1RAB9ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677371-B1 ANTIARRHYTHMIA AGENTS SUCH AS 6-ACETYLAMINO-3,4-DIHYDRO-2,2-DIMETHYL-4-(2-PHENYLETHOXY)-2H-1-BENZOPYRAN-3 -OL, USED FOR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-13 US disclosed