SCHEMBL8090764

SCHEMBL8090764

CC1(C)Oc2ccc(C#N)cc2C(Sc2cccnc2)C1O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.54
ABCB1 P08183 6/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL8088687 0.87 ABCC9 (0.57) ABCC9ABCB1KDM4E
SCHEMBL8085341 0.81 ABCC9 (0.43) ABCC9ABCB1KDM4E
SCHEMBL8090770 0.81 ABCC9 (0.54) ABCC9ABCB1KDM4E
SCHEMBL7332132 0.81 ABCC9 (0.56) ABCC9ABCB1KDM4E
SCHEMBL9724915 0.80 ABCC9 (0.66) ABCC9ABCB1KDM4E
SCHEMBL9724911 0.80 ABCC9 (0.66) ABCC9ABCB1KDM4E
SCHEMBL9724917 0.80 ABCC9 (0.66) ABCC9ABCB1KDM4E
SCHEMBL7323543 0.77 ABCC9 (0.58) ABCC9ABCB1KDM4E
SCHEMBL13080428 0.77 ABCC9 (0.64) ABCC9ABCB1KDM4E
SCHEMBL7331857 0.75 ABCC9 (0.55) ABCC9ABCB1KDM4E

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
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed