SCHEMBL5675545

SCHEMBL5675545

Cc1nc(Cl)c(C=CC(=O)NS(=O)(=O)C=Cc2ccccc2)n1Cc1ccc(OCC2CCCC2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.36
SLC16A1 P53985 3/20 0.36
MCTS1 Q9ULC4 3/20 0.36
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALOX5AP P20292 1/20 0.35
HDAC1 Q13547 2/20 0.34
APP P05067 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ACACB O00763 2/20 0.33
S1PR1 P21453 1/20 0.33
PRKX P51817 1/20 0.33
ACVR1 Q04771 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GAA P10253 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
SCHEMBL5675536 1.00 SLC16A3 (0.36) SLC16A3SLC16A1MCTS1BCL2L1MCL1
SCHEMBL5675543 1.00 SLC16A3 (0.36) SLC16A3SLC16A1MCTS1BCL2L1MCL1
SCHEMBL5672192 0.99 BCL2L1 (0.36) SLC16A3SLC16A1MCTS1BCL2L1MCL1
SCHEMBL5672196 0.99 BCL2L1 (0.36) SLC16A3SLC16A1MCTS1BCL2L1MCL1
SCHEMBL5672195 0.99 BCL2L1 (0.36) SLC16A3SLC16A1MCTS1BCL2L1MCL1
SCHEMBL5672554 0.87 S1PR1 (0.43) PTGDR2HDAC1APPHDAC2HDAC11
SCHEMBL5672552 0.87 S1PR1 (0.43) PTGDR2HDAC1APPHDAC2HDAC11
SCHEMBL5673937 0.87 HDAC8 (0.39) MCL1PTGDR2HDAC1APPHDAC2
SCHEMBL5673941 0.87 HDAC8 (0.39) MCL1PTGDR2HDAC1APPHDAC2
SCHEMBL5673036 0.86 PPARG (0.41) PTGDR2HDAC8PPARG

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
EP-1142879-A1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
US-7060721-B1 Imidazole compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-06-13 US disclosed
EP-1142879-A1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed