SCHEMBL1868758

SCHEMBL1868758

NS(=O)(=O)c1cnc(OCC2CCN(C3COC3F)CC2)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
CDK2 P24941 10/20 0.36
CDK1 P06493 8/20 0.36
CCNB1 P14635 6/20 0.36
CCNT1 O60563 4/20 0.36
CDK7 P50613 4/20 0.36
CDK9 P50750 4/20 0.36
CCNH P51946 4/20 0.36
CDK5 Q00535 4/20 0.36
CA2 P00918 4/20 0.36
IDO1 P14902 2/20 0.35
CCNA2 P20248 6/20 0.34
CCNA1 P78396 6/20 0.34
CCNB2 O95067 3/20 0.33
CCNB3 Q8WWL7 3/20 0.33
NEK2 P51955 1/20 0.33
ROCK2 O75116 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33

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
SCHEMBL1700514 0.89 BRD4 (0.37) BRD4CDK2CDK1CCNB1CCNT1
SCHEMBL1700463 0.87 BRD4 (0.38) BRD4CDK2CDK1CCNB1CCNT1
SCHEMBL15067934 0.80 BRD4 (0.47) BRD4CDK2CDK1CCNB1CCNT1
SCHEMBL1700092 0.79 BRD4 (0.47) BRD4CDK2CDK1CCNB1CCNT1
SCHEMBL1700818 0.77 MGLL (0.38) BRD4
SCHEMBL1958924 0.77 ATXN2 (0.42) BRD4CDK2CDK1CCNB1CCNT1
SCHEMBL1866208 0.75 BRD4 (0.38) BRD4
SCHEMBL1702078 0.75 LMNA (0.42) BRD4CA2ALDH1A1HTT
SCHEMBL1957471 0.73 BRD4 (0.43) BRD4CDK2CDK1CCNB1CCNT1
SCHEMBL1957470 0.73 BRD4 (0.43) BRD4CDK2CDK1CCNB1CCNT1

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-2632436-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-09-04 EP disclosed
EP-2613769-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-07-17 EP disclosed
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2012121758-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. (US) 2012-09-13 WO disclosed
WO-2012058392-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 WO disclosed
EP-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010138588-A9 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-05 WO disclosed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed