SCHEMBL9249188

SCHEMBL9249188

CC1(C)Oc2ccc(C#N)cc2[C@@H]2O[C@]21Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ABCB1 P08183 12/20 0.43
ABCC9 O60706 2/20 0.42
KCNE1 P15382 3/20 0.41
KCNQ1 P51787 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
KCND3 Q9UK17 1/20 0.41

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
SCHEMBL9249195 1.00 KDM4E (0.43) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL7267968 0.84 KDM4E (0.46) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9443553 0.84 KDM4E (0.46) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9443453 0.84 KDM4E (0.46) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9030980 0.80 KDM4E (0.46) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL8088766 0.77 KDM4E (0.49) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9443496 0.73 KCNE1 (0.46) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL9443533 0.71 ABCB1 (0.43) KDM4EABCB1ABCC9KCNE1KCNQ1
SCHEMBL482249 0.71 ABCB1 (0.56) KDM4EABCB1
SCHEMBL9371324 0.71 ABCB1 (0.56) KDM4EABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7173149-A None JP disclosed
JP-H07173149-A INTERMEDIATE COMPOUND BEECHAM GROUP PLC 1995-07-11 JP disclosed