SCHEMBL16618859

SCHEMBL16618859

CCOC(=O)CCc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
GLO1 Q04760 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42

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
SCHEMBL18982074 0.86 MEN1 (0.49) MAPTALDH1A1TDP1KMT2APOLB
SCHEMBL28676925 0.86 MAPT (0.49) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL3117835 0.86 ALDH1A1 (0.69) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL7948673 0.84 MAPT (0.53) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL9445187 0.83 MAPT (0.54) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL17353527 0.80 CYP1A2 (0.53) MAPTALDH1A1TDP1POLBGAA
SCHEMBL18982479 0.80 CYP1A2 (0.53) MAPTALDH1A1TDP1POLBGAA
SCHEMBL25565309 0.80 ALDH1A1 (0.51) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL17630097 0.78 MAPT (0.49) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL15054397 0.78 KDM4E (0.46) MAPTALDH1A1TDP1KDM4EPOLB

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