SCHEMBL3674473

SCHEMBL3674473

CC(C)NC(=O)CNC(=O)OCc1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
PRSS1 P07477 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TOP2A P11388 2/20 0.35
TOP2B Q02880 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3511513 0.77 TOP2A (0.41) MAPK1ALDH1A1HPGDTOP2ATOP2B
SCHEMBL5690211 0.76 ATM (0.35) TOP2ATOP2BLMNAHDAC1HDAC8
SCHEMBL1687312 0.75 ALDH1A1 (0.60) MAPK1CYP3A4ALDH1A1LMNAHTT
SCHEMBL19604769 0.73 NPC1 (0.36) ALDH1A1HPGDLMNANPSR1
SCHEMBL946915 0.72 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1
SCHEMBL6631249 0.72 HDAC4 (0.38) CYP3A4L3MBTL1
SCHEMBL12826607 0.70 RAB9A (0.51) LMNA
SCHEMBL27693705 0.70 FAAH (0.37) ALDH1A1HPGDLMNANPSR1
SCHEMBL3507124 0.69 PTGES (0.41) TOP2ATOP2BLMNA
SCHEMBL13269952 0.69 PTGES (0.43) HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed