SCHEMBL13476166

SCHEMBL13476166

COOCc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@H](O)[C@H]2N(CCc1ccccc1)C(=O)CCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
KCNE1 P15382 3/20 0.37
KCNQ1 P51787 3/20 0.37
ABCB1 P08183 2/20 0.35
KCNH2 Q12809 1/20 0.35
KCNA5 P22460 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL3602288 0.79 NPC1 (0.41) CYP3A4ALOX15KCNE1KCNQ1ABCB1
SCHEMBL13476076 0.78 KCNA5 (0.44) CYP3A4ABCB1KCNH2KCNA5ALDH1A1
SCHEMBL2012197 0.76 ABCB1 (0.42) CYP3A4ALOX15KCNE1KCNQ1ABCB1
SCHEMBL13199558 0.72 ABCB1 (0.43) CYP3A4ALOX15KCNE1KCNQ1ABCB1
SCHEMBL3601953 0.68 ABCB1 (0.43) CYP3A4ALOX15KCNE1KCNQ1ABCB1
SCHEMBL14314310 0.68 KCNE1 (0.38) KCNE1KCNQ1ABCB1KCNH2ALDH1A1
SCHEMBL2891649 0.68 KCNE1 (0.38) KCNE1KCNQ1ABCB1KCNH2ALDH1A1
SCHEMBL2891656 0.68 KCNE1 (0.38) KCNE1KCNQ1ABCB1KCNH2ALDH1A1
SCHEMBL13199554 0.66 KMT2A (0.41) CYP3A4ABCB1KCNA5ALDH1A1KMT2A
SCHEMBL6893102 0.66 KCNH2 (0.48) KCNH2ALDH1A1KMT2AMEN1LMNA

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
WO-2010018867-A1 DI-SUBSTITUTED BENZOPYRANE COMPOUND 日産化学工業株式会社 (JP) 2010-02-18 WO disclosed