SCHEMBL3244879

SCHEMBL3244879

COc1ccc2cn(C(=O)CN3C(=O)CCc4cc(Br)cnc43)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.34
RIPK1 Q13546 1/20 0.33
ABL1 P00519 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GRM2 Q14416 3/20 0.32

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
SCHEMBL3244881 0.83 ROCK1 (0.40)
SCHEMBL3247390 0.82 GRIN2B (0.39) LMNAKDM4EALDH1A1
SCHEMBL3128413 0.82 KDM4E (0.36) LMNAKDM4EALDH1A1MAPT
SCHEMBL3239090 0.81 GRIN2B (0.41) LMNAKDM4EALDH1A1
SCHEMBL3240895 0.80 TAAR1 (0.43) KDM4EALDH1A1MAPTGAA
SCHEMBL27138647 0.76 PARK7 (0.46) ALDH1A1MAPTGAA
SCHEMBL30062474 0.76 PARK7 (0.46) ALDH1A1MAPTGAA
SCHEMBL3248520 0.74 HDAC1 (0.38) ALDH1A1MAPTGAA
SCHEMBL3245592 0.72 ALDH1A1 (0.37) KDM4EALDH1A1MAPTGAA
SCHEMBL3246489 0.71 CYP11B2 (0.36) LMNAKDM4EALDH1A1GAA

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-2010008777-A2 FUSED AZABICYCLIC PYRIDINES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed