SCHEMBL996719

SCHEMBL996719

CCCCOC(=O)Nc1ccnnn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
RAB9A P51151 9/20 0.51
CSNK2A2 P19784 1/20 0.48
CSNK2A1 P68400 1/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
NPC1 O15118 7/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
NFKB1 P19838 1/20 0.48
STAT1 P42224 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HPGD P15428 4/20 0.48
KDM4E B2RXH2 2/20 0.48
CASP1 P29466 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
MCL1 Q07820 1/20 0.48
GAA P10253 2/20 0.47

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
SCHEMBL27721394 0.85 KMT2A (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL1921112 0.75 SMN1; SMN2 (0.59) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8415569 0.74 L3MBTL1 (0.53) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL30278818 0.74 CSNK2A2 (0.46) L3MBTL1RAB9ACSNK2A2CSNK2A1SMN1; SMN2
SCHEMBL7564852 0.73 RAB9A (0.79) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL994563 0.73 RAB9A (0.55) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL15432250 0.73 BCHE (0.66) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL15348832 0.72 L3MBTL1 (0.51) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7380970 0.72 SMN1; SMN2 (0.53) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL28610054 0.72 L3MBTL1 (0.51) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1

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-2456799-A1 WATER-BORNE BINDERS FOR PRIMER-SURFACER COATING COMPOSITIONS Cytec Austria GmbH (AT) 2012-05-30 EP disclosed
WO-2011009882-A1 WATER-BORNE BINDERS FOR PRIMER-SURFACER COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2011-01-27 WO disclosed
WO-2007009581-A1 WATER REDUCIBLE BINDERS FOR CATHODIC ELECTRODEPOSITION COATING COMPOSITIONS CYTEC SURFACE SPECIALTIES AUSTRIA GMBH (AT) 2007-01-25 WO disclosed
EP-1743925-A1 Water reducible binders for cathodic electrodeposition coating compositions Cytec Surface Specialties Austria GmbH (AT) 2007-01-17 EP disclosed