SCHEMBL459926

SCHEMBL459926

CCOCC=NC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKT1 P31749 1/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 2/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6159579 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL8512829 0.84 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNARAB9AHSD17B10
SCHEMBL6159139 0.84 RAB9A (0.48) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL6159531 0.84 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL18321825 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL6161054 0.83 HPGD (0.49) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL8516079 0.82 CES2 (0.44) ALDH1A1SMN1; SMN2KDM4ERAB9AHSD17B10
SCHEMBL5205772 0.82 LMNA (0.46) ALDH1A1SMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5846634 0.82 LMNA (0.44) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL4560875 0.82 CES1 (0.45) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027846-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, LIGHTING DEVICE, AND NOVEL ORGANIC COMPOUND SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-02-28 WO disclosed
WO-2012070596-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-31 WO disclosed
WO-2012033108-A1 LIGHT-EMITTING ELEMENT AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-15 WO disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
EP-1458706-A4 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2005-06-08 EP disclosed
EP-1458706-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ Corp. (KR) 2004-09-22 EP disclosed
WO-2003055875-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP. (KR) 2003-07-10 WO disclosed