SCHEMBL10140100

SCHEMBL10140100

CNC(=O)NC1=CCCC=C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 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
SCHEMBL5960697 0.80 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL18726609 0.76 GAA (0.34) ALDH1A1MAPTKMT2A
SCHEMBL27644272 0.76 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL22019074 0.73 NPC1 (0.38) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL23871973 0.73 TP53 (0.43) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL26814125 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RECQLMAPTPOLB
SCHEMBL19512667 0.72 NFKB1 (0.40) ALDH1A1
SCHEMBL24398318 0.71 EPHX2 (0.43) ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL6365369 0.70 CA12 (0.31) ALDH1A1
SCHEMBL6365373 0.70 CA12 (0.31) ALDH1A1

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
EP-2348023-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORP (US) 2015-05-06 EP disclosed
WO-2012007493-A1 PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
EP-2013202-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-06-16 EP disclosed
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP disclosed