SCHEMBL16618924

SCHEMBL16618924

CCOC(=O)CCc1cc2c(O)c([N+](=O)[O-])cnc2cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TNF P01375 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CTSB P07858 2/20 0.35
DPP4 P27487 1/20 0.35
POLB P06746 2/20 0.34
HASPIN Q8TF76 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL16619278 0.89 MAPT (0.36) MAPTKDM4ETNFALDH1A1TDP1
SCHEMBL16618995 0.81 ALDH1A1 (0.46) MAPTALDH1A1TDP1POLBLMNA
SCHEMBL16619308 0.81 PDGFRB (0.43) MAPTKDM4EALDH1A1TDP1CTSB
SCHEMBL16618701 0.76 CYP4F2 (0.42) MAPTKDM4ETNFALDH1A1CYP4F2
SCHEMBL16618826 0.76 CYP1A2 (0.41) MAPTKDM4EALDH1A1CTSBPOLB
SCHEMBL26131807 0.73 CYP1A2 (0.41) MAPTKDM4EALDH1A1CTSBPOLB
SCHEMBL29970861 0.73 CYP1A2 (0.41) MAPTKDM4EALDH1A1CTSBPOLB
SCHEMBL15973592 0.73 PDGFRB (0.40) MAPTKDM4ETDP1POLBLMNA
SCHEMBL15054971 0.71 HSP90AA1 (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL25565309 0.71 ALDH1A1 (0.51) MAPTKDM4ETNFALDH1A1TDP1

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