SCHEMBL27587738

SCHEMBL27587738

CCOC(=O)c1ccc(N(C(N)=O)c2ccc([N+](=O)[O-])cc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 6/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1C Q13936 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL27587826 0.89 MAPT (0.46) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL27605699 0.83 GPR35 (0.46) MAPTATML3MBTL1MEN1KMT2A
SCHEMBL27587714 0.83 SMN1; SMN2 (0.47) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL27587711 0.81 GPR35 (0.51) MAPTL3MBTL1KMT2AALDH1A1LMNA
SCHEMBL3018832 0.81 MAPT (0.48) NPC1MAPTRAB9AL3MBTL1MEN1
SCHEMBL27587720 0.80 GPR35 (0.43) NPC1MAPTL3MBTL1MEN1KMT2A
SCHEMBL27587702 0.79 MGLL (0.45) MAPTATML3MBTL1MEN1KMT2A
SCHEMBL9488095 0.78 PTGS2 (0.41) MAPTRAB9AL3MBTL1ALDH1A1GAA
SCHEMBL11198518 0.77 LMNA (0.61) NPC1MAPTKDM4ERAB9AL3MBTL1
SCHEMBL6824083 0.77 L3MBTL1 (0.42) NPC1MAPTKDM4ERAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed