SCHEMBL9475265

SCHEMBL9475265

CC1(C)N=C(c2cccc[n+]2[O-])c2cc(C#N)ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.50
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
KCNJ8 Q15842 1/20 0.50
BACE1 P56817 1/20 0.32
ABCB1 P08183 5/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL9478300 0.89 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8GABRA1
Iodide SCHEMBL9475041 0.86 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL9475319 0.82 ABCC9 (0.31) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475563 0.82 CHRM1 (0.31) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9476211 0.82 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8BACE1
SCHEMBL9475876 0.82 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9477048 0.81 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL9474779 0.81 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9476826 0.81 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475833 0.81 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP claimed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed