SCHEMBL7554995

SCHEMBL7554995

O=Cc1ccc(Br)cc1.O=Cc1ccc([N+](=O)[O-])o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
MAPT P10636 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
XBP1 P17861 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 6/20 0.45
GLO1 Q04760 1/20 0.44
CASP6 P55212 1/20 0.42
HTT P42858 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL183545 0.85 KMT2A (0.66) KMT2AMEN1MAPTTDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL27671164 0.83 KMT2A (0.63) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL13236077 0.83 KMT2A (0.54) KMT2AMEN1MAPTTDP1L3MBTL1
Nitric Acid SCHEMBL11753070 0.80 KMT2A (0.59) KMT2AMEN1MAPTTDP1L3MBTL1
Oxalic Acid SCHEMBL27601439 0.77 KMT2A (0.63) KMT2AMEN1MAPTTDP1L3MBTL1
Oxalic Acid SCHEMBL28835365 0.77 KMT2A (0.63) KMT2AMEN1MAPTTDP1L3MBTL1
Acetic Acid SCHEMBL19458526 0.76 GLO1 (0.64) KMT2AMEN1MAPTTDP1L3MBTL1
Furan SCHEMBL28801428 0.76 KMT2A (0.54) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL11811632 0.74 GLO1 (0.50) KMT2AMEN1MAPTTDP1L3MBTL1
SCHEMBL11816621 0.74 GLO1 (0.50) KMT2AMEN1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214330-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-06-19 EP disclosed
WO-2001021634-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-29 WO disclosed