SCHEMBL16618995

SCHEMBL16618995

CCOC(=O)c1cc2c(O)c([N+](=O)[O-])cnc2cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 3/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MITF O75030 2/20 0.46
GALR2 O43603 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
MAPK1 P28482 2/20 0.39
MAPT P10636 6/20 0.39
GAA P10253 3/20 0.39
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL16618900 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL16618924 0.81 MAPT (0.36) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL16618826 0.79 CYP1A2 (0.41) ALDH1A1POLBMAPTGAAKMT2A
SCHEMBL23577809 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBHPGDNPSR1
SCHEMBL29970861 0.76 CYP1A2 (0.41) ALDH1A1POLBMAPTGAAKMT2A
SCHEMBL26131807 0.76 CYP1A2 (0.41) ALDH1A1POLBMAPTGAAKMT2A
SCHEMBL15973592 0.76 PDGFRB (0.40) POLBLMNAMAPTKMT2AMEN1
SCHEMBL7573464 0.76 MAPT (0.49) ALDH1A1SMN1; SMN2NPSR1MAPK1MAPT
SCHEMBL16619308 0.75 PDGFRB (0.43) ALDH1A1POLBHPGDLMNAMAPK1
SCHEMBL15054272 0.75 MAPK1 (0.45) ALDH1A1SMN1; SMN2HPGDNPSR1LMNA

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