SCHEMBL16619416

SCHEMBL16619416

CC(Nc1c([N+](=O)[O-])cnc2cc(Br)c(C(=O)O)cc12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ASPH Q12797 2/20 0.46
KDM8 Q8N371 2/20 0.46
RIOX2 Q8IUF8 1/20 0.46
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TNF P01375 2/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38

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
SCHEMBL16619418 1.00 KDM4E (0.46) KDM4EASPHKDM8RIOX2ALDH1A1
SCHEMBL16619219 0.87 ALDH1A1 (0.49) ALDH1A1HTTGAACRHBPCRHR2
SCHEMBL16619217 0.87 ALDH1A1 (0.49) ALDH1A1HTTGAACRHBPCRHR2
SCHEMBL16619776 0.85 KDM4E (0.47) KDM4EASPHKDM8RIOX2KDM4C
SCHEMBL16618796 0.85 ALDH1A1 (0.40) KDM4EASPHKDM8RIOX2ALDH1A1
SCHEMBL16618793 0.85 ALDH1A1 (0.40) KDM4EASPHKDM8RIOX2ALDH1A1
SCHEMBL16619606 0.84 SOS1 (0.47) ALDH1A1HTTGAACRHBPCRHR2
SCHEMBL16619605 0.84 SOS1 (0.47) ALDH1A1HTTGAACRHBPCRHR2
SCHEMBL16619352 0.84 SIRT5 (0.39) KDM4EALDH1A1HTTGAACRHBP
SCHEMBL16619354 0.84 SIRT5 (0.39) KDM4EALDH1A1HTTGAACRHBP

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