SCHEMBL9832783

SCHEMBL9832783

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.46
IDO1 P14902 1/20 0.38
CCNC P24863 9/20 0.36
CDK8 P49336 9/20 0.36
HASPIN Q8TF76 8/20 0.36
CDK19 Q9BWU1 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31

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
SCHEMBL7292871 1.00 ABCC9 (0.46) ABCC9IDO1CCNCCDK8HASPIN
SCHEMBL7292872 1.00 ABCC9 (0.46) ABCC9IDO1CCNCCDK8HASPIN
SCHEMBL9042195 0.77 ABCC9 (0.49) ABCC9CCNCCDK8HASPINCDK19
SCHEMBL9042201 0.77 ABCC9 (0.49) ABCC9CCNCCDK8HASPINCDK19
SCHEMBL9042189 0.77 ABCC9 (0.49) ABCC9CCNCCDK8HASPINCDK19
SCHEMBL7253517 0.76 IDO1 (0.49) ABCC9IDO1L3MBTL1KCNE1KCNQ1
SCHEMBL10644246 0.76 IDO1 (0.49) ABCC9IDO1L3MBTL1KCNE1KCNQ1
SCHEMBL10644259 0.76 IDO1 (0.49) ABCC9IDO1L3MBTL1KCNE1KCNQ1
SCHEMBL9363850 0.75 ABCC9 (0.47) ABCC9
SCHEMBL9363847 0.75 ABCC9 (0.47) ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0205292-B1 Pyrano[3,2-c]pyridine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1991-11-06 EP claimed
US-4904784-A Active compounds BEECHAM GROUP P.L.C. (GB) 1990-02-27 US claimed
EP-0205292-A2 Pyrano[3,2-c]pyridine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1986-12-17 EP claimed
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed
EP-0205292-B1 Pyrano[3,2-c]pyridine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1991-11-06 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
US-4904784-A Active compounds BEECHAM GROUP P.L.C. (GB) 1990-02-27 US disclosed
US-4812459-A PYRANOPYRIDINES BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0205292-A2 Pyrano[3,2-c]pyridine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1986-12-17 EP disclosed