SCHEMBL9475876

SCHEMBL9475876

Cc1cc2c(cc1C#N)C(c1cccc[n+]1[O-])=NC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.37
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37

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
SCHEMBL9475833 0.88 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9474779 0.88 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475938 0.86 ABCC9 (0.35) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475850 0.85 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9474978 0.83 ABCC9 (0.30) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475265 0.82 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9476803 0.80 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9477622 0.80 KDM4E (0.32) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9476674 0.79 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9476029 0.79 ABCC9 (0.32) 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