SCHEMBL7206975

SCHEMBL7206975

[CH2]/C=C/c1ccc([N+](=O)[O-])o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
TDP1 Q9NUW8 5/20 0.62
POLB P06746 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 5/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 4/20 0.59
LMNA P02545 4/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
MITF O75030 1/20 0.59
XBP1 P17861 1/20 0.59
HTT P42858 4/20 0.53
GLO1 Q04760 1/20 0.51
CASP6 P55212 2/20 0.49
ALOX12 P18054 1/20 0.48
SLC2A1 P11166 1/20 0.48

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
SCHEMBL15978028 0.81 KMT2A (0.62) KMT2ATDP1POLBL3MBTL1MEN1
SCHEMBL11360894 0.81 KMT2A (0.62) KMT2ATDP1POLBL3MBTL1MEN1
SCHEMBL17975323 0.81 KMT2A (0.62) KMT2ATDP1POLBL3MBTL1MEN1
SCHEMBL11360897 0.81 KMT2A (0.62) KMT2ATDP1POLBL3MBTL1MEN1
SCHEMBL258450 0.80 KMT2A (0.63) KMT2ATDP1POLBL3MBTL1MEN1
SCHEMBL1957446 0.79 KMT2A (0.60) KMT2ATDP1POLBL3MBTL1MEN1
SCHEMBL291297 0.79 KMT2A (0.60) KMT2ATDP1POLBL3MBTL1MEN1
SCHEMBL17988274 0.78 KMT2A (0.78) KMT2ATDP1POLBL3MBTL1MEN1
SCHEMBL2681858 0.78 KMT2A (0.78) KMT2ATDP1POLBL3MBTL1MEN1
SCHEMBL11429809 0.78 KMT2A (0.58) KMT2ATDP1POLBL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP claimed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US claimed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO disclosed