SCHEMBL4766405

SCHEMBL4766405

O=C(O)C1CCCC1C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.42
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM4 Q14833 1/20 0.34

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
SCHEMBL18532463 1.00 PEPD (0.42) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL195046 1.00 PEPD (0.42) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL7734513 1.00 PEPD (0.42) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL7768150 0.98 PEPD (0.41) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL7598028 0.98 PEPD (0.41) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL9419364 0.98 MEN1 (0.42) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL7184111 0.98 PEPD (0.41) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL55536 0.98 PEPD (0.41) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL27481350 0.98 PEPD (0.41) PEPDMEN1BLMKMT2AALDH1A1
SCHEMBL8079733 0.98 PEPD (0.41) PEPDMEN1BLMKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699553-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2014-02-26 EP disclosed
WO-2012145569-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-26 WO disclosed
EP-1505963-A4 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed