SCHEMBL16619308

SCHEMBL16619308

COC(=O)Cc1cc2c(O)c([N+](=O)[O-])cnc2cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
MAPT P10636 4/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 2/20 0.32
CTSB P07858 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
EGFR P00533 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL16619984 0.90 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16618924 0.81 MAPT (0.36) MAPTPOLBLMNAALDH1A1KDM4E
SCHEMBL15973592 0.78 PDGFRB (0.40) PDGFRBPDGFRAMAPTPOLBLMNA
SCHEMBL16618826 0.76 CYP1A2 (0.41) MAPTPOLBALDH1A1KDM4ECTSB
SCHEMBL16618824 0.76 S1PR4 (0.35) KDRMAPTALDH1A1KDM4EEGFR
SCHEMBL29970057 0.76 PDGFRB (0.43) PDGFRBPDGFRAMAPTPOLBHTT
SCHEMBL26131542 0.76 PDGFRB (0.43) PDGFRBPDGFRAMAPTPOLBHTT
SCHEMBL16618995 0.75 ALDH1A1 (0.46) MAPTPOLBLMNAALDH1A1HPGD
SCHEMBL21099305 0.74 MAPT (0.41) MAPTHTTLMNAALDH1A1KDM4E
SCHEMBL29970861 0.74 CYP1A2 (0.41) MAPTPOLBALDH1A1KDM4ECTSB

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