SCHEMBL5776721

SCHEMBL5776721

Fc1c(Cl)ccn2c(Br)cnc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
NFKB1 P19838 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB2 Q00653 2/20 0.32
KMT2A Q03164 2/20 0.32
RELA Q04206 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL25245121 0.76 HDAC8 (0.45) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL2659705 0.74 GABRA1 (0.48)
SCHEMBL23104791 0.73 IKBKB (0.33)
SCHEMBL5777594 0.72 PRMT5 (0.39) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL31329960 0.69 GRIN2D (0.33) L3MBTL1
SCHEMBL1368540 0.66 PARP1 (0.41) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL14321728 0.65 LCK (0.31)
SCHEMBL23104611 0.64 USP7 (0.40) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL23089243 0.64 FLT3 (0.40) KDM4EALDH1A1
SCHEMBL22200842 0.64 HDAC8 (0.45) KDM4ENPC1ALDH1A1MAPTRAB9A

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
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP disclosed