SCHEMBL9529802

SCHEMBL9529802

CC1(C)Oc2ccc(C#N)cc2[C@H](NC(=NC#N)c2ccc(F)cc2)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 9/20 0.63
▸ ABCB1 P08183 9/20 0.52

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
SCHEMBL9529799 1.00 ABCC9 (0.63) ABCC9ABCB1
SCHEMBL9529825 1.00 ABCC9 (0.63) ABCC9ABCB1
SCHEMBL9529809 1.00 ABCC9 (0.63) ABCC9ABCB1
SCHEMBL9194893 0.90 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL9194900 0.90 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL9532532 0.90 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL9194889 0.90 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL9194886 0.90 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8538254 0.90 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL9528721 0.89 ABCC9 (0.63) 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-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 — — EP disclosed
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