SCHEMBL7325892

SCHEMBL7325892

CC1(C)Oc2ccc(C#N)cc2C(Sc2ccc(O)nn2)C1(C)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ABCC9 O60706 5/20 0.37
ABCB1 P08183 9/20 0.37
KCNE1 P15382 3/20 0.36
KCNQ1 P51787 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KCND3 Q9UK17 1/20 0.36
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35

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
SCHEMBL7325363 0.89 KDM4E (0.38) KDM4EABCC9ABCB1KCNE1KCNQ1
SCHEMBL7323133 0.81 ABCC9 (0.39) KDM4EABCC9ABCB1KCNE1KCNQ1
SCHEMBL8076948 0.81 ABCC9 (0.43) KDM4EABCC9ABCB1
SCHEMBL8085380 0.80 ABCC9 (0.43) KDM4EABCC9ABCB1KCNE1KCNQ1
SCHEMBL7334787 0.80 ABCC9 (0.55) KDM4EABCC9ABCB1KCNE1KCNQ1
SCHEMBL7325866 0.77 ABCB1 (0.39) KDM4EABCC9ABCB1KCNE1KCNQ1
SCHEMBL7273801 0.77 ABCC9 (0.39) KDM4EABCC9ABCB1
SCHEMBL8085341 0.77 ABCC9 (0.43) KDM4EABCC9ABCB1
SCHEMBL8090511 0.69 ABCC9 (0.40) KDM4EABCC9ABCB1KCNE1KCNQ1
SCHEMBL8088871 0.69 ABCC9 (0.38) KDM4EABCC9ABCB1

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