SCHEMBL16619309

SCHEMBL16619309

O=C(O)/C=C/c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
MAPT P10636 5/20 0.50
RHOA P61586 2/20 0.50
EIF2AK2 P19525 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL16619312 1.00 PTGES (0.52) PTGESMAPTRHOAEIF2AK2CSNK2A2
SCHEMBL16619311 1.00 PTGES (0.52) PTGESMAPTRHOAEIF2AK2CSNK2A2
SCHEMBL9386732 0.88 PTGES (0.55) PTGESMAPTRHOAEIF2AK2CSNK2A2
SCHEMBL9551038 0.88 PTGES (0.55) PTGESMAPTRHOAEIF2AK2CSNK2A2
SCHEMBL1174503 0.83 MAPT (0.64) PTGESMAPTRHOANPSR1KMT2A
SCHEMBL3602553 0.83 MAPT (0.64) PTGESMAPTRHOANPSR1KMT2A
SCHEMBL989659 0.83 MAPT (0.64) PTGESMAPTRHOANPSR1KMT2A
SCHEMBL4613192 0.81 MIF (0.59) PTGESMAPTRHOANPSR1KMT2A
SCHEMBL7134052 0.81 PTGES (0.59) PTGESMAPTRHOANPSR1KMT2A
SCHEMBL4613190 0.81 MIF (0.59) PTGESMAPTRHOANPSR1KMT2A

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
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed