SCHEMBL9589053

SCHEMBL9589053

CC1(C)Oc2ccncc2[C@H](Oc2ccccn2)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.48
IDO1 P14902 1/20 0.33
KCNE1 P15382 4/20 0.32
KCNQ1 P51787 4/20 0.32
PTGS2 P35354 1/20 0.32
FURIN P09958 1/20 0.32
ABCB1 P08183 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9589058 1.00 ABCC9 (0.48) ABCC9IDO1KCNE1KCNQ1PTGS2
SCHEMBL9589063 1.00 ABCC9 (0.48) ABCC9IDO1KCNE1KCNQ1PTGS2
SCHEMBL8085199 0.81 ABCC9 (0.42) ABCC9KCNE1KCNQ1ABCB1
SCHEMBL7274240 0.78 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8085013 0.78 ABCC9 (0.41) ABCC9TDP1
SCHEMBL8088486 0.77 ABCC9 (0.42) ABCC9
SCHEMBL10266075 0.73 ABCC9 (0.49) ABCC9KCNE1KCNQ1
SCHEMBL482632 0.73 ABCC9 (0.49) ABCC9KCNE1KCNQ1
SCHEMBL7331034 0.71 ABCC9 (0.56) ABCC9KCNE1KCNQ1ABCB1
SCHEMBL9042201 0.70 ABCC9 (0.49) ABCC9KCNE1KCNQ1ABCB1

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-5254557-A Administering for reversible airways obstruction and asthma BEECHAM GROUP P.L.C. (GB) 1993-10-19 US disclosed
EP-0373204-A1 NOVEL COMPOUNDS AND TREATMENT BEECHAM GROUP PLC (GB) 1990-06-20 EP disclosed
WO-1989010925-A1 NOVEL COMPOUNDS AND TREATMENT BEECHAM GROUP PLC (GB) 1989-11-16 WO disclosed