SCHEMBL8268367

SCHEMBL8268367

CCOC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)nc3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
TP53 P04637 5/20 1.00
KDM4E B2RXH2 4/20 1.00
TSHR P16473 5/20 0.61
NPSR1 Q6W5P4 3/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
GBA1 P04062 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
BLM P54132 1/20 0.51
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL1084138 0.93 MAPT (0.86) MAPTTP53KDM4ETSHRNPSR1
SCHEMBL8268364 0.87 MAPT (0.77) MAPTTP53KDM4ETSHRNPSR1
SCHEMBL1084150 0.86 MAPT (0.75) MAPTTP53KDM4ETSHRNPSR1
SCHEMBL8268371 0.85 MAPT (0.74) MAPTTP53KDM4ETSHRNPSR1
SCHEMBL1083969 0.83 MAPT (0.71) MAPTTP53KDM4ETSHRNPSR1
SCHEMBL8268369 0.83 MAPT (0.71) MAPTTP53KDM4ETSHRNPSR1
SCHEMBL1084000 0.82 MAPT (0.70) MAPTTP53KDM4ETSHRNPSR1
SCHEMBL8268372 0.81 MAPT (0.68) MAPTTP53KDM4ETSHRNPSR1
SCHEMBL1083809 0.80 TP53 (1.00) MAPTTP53KDM4ETSHRNPSR1
SCHEMBL8270962 0.78 TP53 (0.64) MAPTTP53KDM4ETSHRNPSR1

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-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed