SCHEMBL16618900

SCHEMBL16618900

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
HSP90AA1 P07900 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 6/20 0.39
GAA P10253 3/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.38
MAPK10 P53779 1/20 0.37

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
SCHEMBL16618995 0.88 ALDH1A1 (0.46) ALDH1A1POLBLMNASMN1; SMN2HPGD
SCHEMBL16619278 0.81 MAPT (0.36) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL26131871 0.76 CYP1A2 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL29969235 0.76 CYP1A2 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL21050767 0.75 MAPT (0.37) ALDH1A1LMNASMN1; SMN2HPGDHSP90AA1
SCHEMBL31092311 0.74 ALDH1A1 (0.52) ALDH1A1POLBLMNASMN1; SMN2HPGD
SCHEMBL3125659 0.74 ALDH1A1 (0.52) ALDH1A1POLBLMNASMN1; SMN2HPGD
SCHEMBL2910396 0.74 MAPT (0.50) ALDH1A1NPSR1KMT2AMEN1MAPT
SCHEMBL21201268 0.74 NUDT1 (0.46) ALDH1A1POLBSMN1; SMN2HPGDNPSR1
SCHEMBL2913920 0.74 MAPT (0.56) ALDH1A1LMNANPSR1KMT2AMEN1

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