SCHEMBL5496935

SCHEMBL5496935

C=CS(=O)(=O)NN1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL29926690 0.78 KDM4E (0.33)
SCHEMBL176589 0.69 CA2 (0.36) CA1CA2POLBTSHRKMT2A
SCHEMBL7024977 0.69 CA1 (0.36) CA1CA2POLBTSHRKMT2A
SCHEMBL1646187 0.69 CA1 (0.48) CA1CA2POLBTSHRKMT2A
SCHEMBL5224904 0.69 CA1 (0.36) CA1CA2POLBTSHRKMT2A
Hydrochloric Acid SCHEMBL11534985 0.67 CA1 (0.35) CA1CA2POLBTSHRKMT2A
SCHEMBL27318690 0.67 CA1 (0.35) CA1CA2POLBTSHRKMT2A
SCHEMBL2591313 0.67 CA12 (0.38) CA1CA2POLBTSHRKMT2A
SCHEMBL6170167 0.67 CA1 (0.46) CA1CA2POLBTSHRKMT2A
SCHEMBL7290030 0.65 CA1 (0.32) CA1CA2POLBTSHRKMT2A

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-1513814-A4 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO (JP) 2007-03-14 EP disclosed
EP-1513814-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-03-16 EP disclosed
WO-2003099787-A1 NOVEL PIPERIDINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2003-12-04 WO disclosed