SCHEMBL27769710

SCHEMBL27769710

O=[N+]([O-])c1cnc2ccc(Br)cc2c1-c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.45
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
TNF P01375 1/20 0.42
CRHBP P24387 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
NOD2 Q9HC29 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOD1 Q9Y239 1/20 0.42
GABRA1 P14867 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 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
SCHEMBL27769709 0.80 ALK (0.41) PTGESMAPTMEN1KMT2AALDH1A1
SCHEMBL358629 0.79 MAPT (0.45) PTGESMAPTMEN1KMT2AALDH1A1
SCHEMBL28038009 0.78 PTGES (0.45) PTGESKMT2AALDH1A1HTTGABRA1
SCHEMBL28468025 0.74 EGFR (0.42) PTGESMAPTMEN1KMT2AALDH1A1
SCHEMBL358123 0.73 EGFR (0.42) PTGESMAPTMEN1KMT2AALDH1A1
SCHEMBL1557518 0.73 LMNA (0.41) PTGESMAPTMEN1KMT2AALDH1A1
SCHEMBL20319134 0.73 CTSB (0.42) PTGESMAPTMEN1KMT2AALDH1A1
SCHEMBL28573345 0.73 KMT2A (0.49) PTGESMAPTMEN1KMT2AALDH1A1
SCHEMBL9159295 0.72 MAPT (0.45) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL27655698 0.72 MAPT (0.43) MAPTMEN1KMT2AALDH1A1POLB

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
CN-102796099-A Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG 2012-11-28 CN disclosed
CN-101495477-A Imidazoquinolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-29 CN disclosed