SCHEMBL9416604

SCHEMBL9416604

CC1(C)Oc2ccc(C#N)cc2[C@@H](NC(=S)Nc2ccc(Cl)cc2)[C@@H]1O

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.68
ABCB1 P08183 6/20 0.53

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
SCHEMBL9416601 1.00 ABCC9 (0.68) ABCC9ABCB1
SCHEMBL9269586 0.90 ABCB1 (0.62) ABCC9ABCB1
SCHEMBL9269576 0.90 ABCB1 (0.62) ABCC9ABCB1
SCHEMBL9269578 0.90 ABCB1 (0.62) ABCC9ABCB1
SCHEMBL8938937 0.85 ABCC9 (0.65) ABCC9ABCB1
SCHEMBL13970141 0.85 ABCC9 (0.65) ABCC9ABCB1
SCHEMBL4254900 0.85 ABCC9 (0.65) ABCC9ABCB1
SCHEMBL9150902 0.85 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL9150894 0.85 ABCC9 (0.70) ABCC9ABCB1
SCHEMBL9150891 0.85 ABCC9 (0.70) ABCC9ABCB1

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
EP-0624589-A2 Intermediates useful in the preparation of pyranyl cyanoguanidine derivatives and methods of preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-17 EP disclosed