SCHEMBL8530768

SCHEMBL8530768

NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.46
PGR P06401 1/20 0.44
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
CCNA1 P78396 1/20 0.42
CDK6 Q00534 1/20 0.42
MCL1 Q07820 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA3 P07451 3/20 0.38
CA4 P22748 3/20 0.38

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
SCHEMBL418863 0.78 MAPT (0.50) MCL1HPGDTSHR
SCHEMBL12190304 0.77 GUSB (0.46) GUSBPGRCDK1CCNB1CCNA2
SCHEMBL2371939 0.77 KMT2A (0.46) GUSBPGRCDK1CCNB1CCNA2
SCHEMBL2371936 0.77 GUSB (0.46) GUSBPGRCDK1CCNB1CCNA2
SCHEMBL6259655 0.77 MCL1 (0.66) MCL1HPGDTSHRPOLB
SCHEMBL11514167 0.76 KMT2A (0.45) GUSBPGRCDK1CCNB1CCNA2
SCHEMBL11514174 0.76 CA12 (0.47) GUSBPGRCDK1CCNB1CCNA2
SCHEMBL9577136 0.76 POLB (0.54) GUSBPGRCDK1CCNB1CCNA2
SCHEMBL10993966 0.74 MEN1 (0.43) MCL1CA12CA1CA2CA7
SCHEMBL6258831 0.74 AKR1B1 (0.44) MCL1PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716989-A Bicyclo 3.3.0!octane derivatives, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
EP-0474817-B1 BICYCLO [3.3.0]OCTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 1995-10-11 EP disclosed
EP-0474817-A1 BICYCLO 3.3.)]OCTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE. SCHERING AG (DE) 1992-03-18 EP disclosed
WO-1991014675-A1 BICYCLO[3.3.)]OCTANE DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-10-03 WO disclosed