SCHEMBL9779686

SCHEMBL9779686

CC1(C)N=C(Oc2cc(O)ncn2)c2cc(C#N)ccc2O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.32

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
SCHEMBL9779615 0.83 ABCC9 (0.36) ABCC9
SCHEMBL9371377 0.83 ABCC9 (0.32) ABCC9
SCHEMBL9373913 0.83 ABCC9 (0.33) ABCC9
SCHEMBL9372051 0.83 DEGS1 (0.34) ABCC9
SCHEMBL9372537 0.82 ABCC9 (0.34) ABCC9
SCHEMBL9375455 0.80 PDE4A (0.33) ABCC9
SCHEMBL9779825 0.80 ABCC9 (0.33) ABCC9
SCHEMBL9779754 0.79 ABCC9 (0.38) ABCC9
SCHEMBL9371892 0.79 ABCC9 (0.32) ABCC9
SCHEMBL9779813 0.78 ALK (0.38) ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036068-A Cardiovascular disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-07-30 US disclosed
EP-0371312-A1 Benzoxazine derivatives MERCK PATENT GmbH (DE) 1990-06-06 EP disclosed