SCHEMBL16619494

SCHEMBL16619494

N#CCCCOc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR4 O95977 2/20 0.40
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL16619045 0.84 KMT2A (0.41) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL4468352 0.82 MAPT (0.49) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL13140933 0.81 MAPT (0.51) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL22117910 0.81 S1PR4 (0.44) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL31174878 0.81 S1PR4 (0.44) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL8110099 0.80 TSHR (0.58) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL1610511 0.80 SNCA (0.47) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL31415500 0.78 S1PR4 (0.48) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL8322081 0.76 KMT2A (0.43) MAPTGAAHPGDSMN1; SMN2LMNA
SCHEMBL11100451 0.76 KCNH2 (0.56) MAPTALDH1A1L3MBTL1

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