SCHEMBL7964893

SCHEMBL7964893

COC(OC)[C@@]1(C)Oc2ccc(C#N)cc2[C@H](N)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ABCB1 P08183 14/20 0.43
ABCC9 O60706 1/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42

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
SCHEMBL7963805 1.00 KDM4E (0.44) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL7134039 1.00 KDM4E (0.44) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL7134035 1.00 KDM4E (0.44) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL7952707 1.00 KDM4E (0.44) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9209930 0.83 KDM4E (0.44) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL7970569 0.81 BCL2 (0.33)
SCHEMBL7964901 0.81 BCL2 (0.33)
SCHEMBL482186 0.80 KDM4E (0.60) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL8983412 0.80 KDM4E (0.60) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9260385 0.80 KDM4E (0.60) KDM4EABCB1ABCC9KCNE1KCNQ1

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
US-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed