SCHEMBL7323624

SCHEMBL7323624

COc1ccc(OC2c3cc(C#N)ccc3OC(C)(C)C2(C)O)nn1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.40
ABCB1 P08183 12/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7273801 0.91 ABCC9 (0.39) ABCC9ABCB1KDM4E
SCHEMBL7324847 0.91 ABCC9 (0.39) ABCC9ABCB1KDM4E
SCHEMBL7332374 0.86 ABCB1 (0.39) ABCC9ABCB1KDM4E
SCHEMBL7331068 0.84 ABCB1 (0.38) ABCC9ABCB1KDM4E
SCHEMBL7326421 0.83 ABCC9 (0.43) ABCC9ABCB1KDM4E
SCHEMBL7331735 0.82 ABCB1 (0.39) ABCC9ABCB1KDM4E
SCHEMBL7328970 0.82 ABCC9 (0.42) ABCC9ABCB1KDM4E
SCHEMBL7324385 0.82 ABCC9 (0.38) ABCC9ABCB1KDM4E
SCHEMBL7324552 0.82 ABCC9 (0.40) ABCC9ABCB1KDM4E
SCHEMBL7330766 0.81 ABCB1 (0.40) 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 4 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
EP-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed