SCHEMBL11017708

SCHEMBL11017708

N#Cc1ccc(C=CC(Br)I)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.44
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
HDAC2 Q92769 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P4HB P07237 2/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SNCA P37840 1/20 0.36
CYP2A6 P11509 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35

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
SCHEMBL2227664 0.77 FBP1 (0.52) FBP1ALDH1A1LMNAHDAC2MAPT
SCHEMBL2227670 0.77 FBP1 (0.52) FBP1ALDH1A1LMNAHDAC2MAPT
SCHEMBL1687911 0.76 FBP1 (0.59) FBP1ALDH1A1LMNAHDAC2MAPT
SCHEMBL13799049 0.76 FBP1 (0.59) FBP1ALDH1A1LMNAHDAC2MAPT
SCHEMBL21574805 0.76 FBP1 (0.59) FBP1ALDH1A1LMNAHDAC2MAPT
SCHEMBL1260529 0.76 FBP1 (0.59) FBP1ALDH1A1LMNAHDAC2MAPT
SCHEMBL8699093 0.76 FBP1 (0.59) FBP1ALDH1A1LMNAHDAC2MAPT
SCHEMBL1687898 0.76 FBP1 (0.59) FBP1ALDH1A1LMNAHDAC2MAPT
SCHEMBL24740469 0.76 FBP1 (0.47) FBP1ALDH1A1LMNAHDAC2MAPT
SCHEMBL10147242 0.76 FBP1 (0.47) FBP1ALDH1A1LMNAHDAC2MAPT

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-0146333-A1 Organic compounds and their pharmaceutical use Lilly Industries Limited (GB) 1985-06-26 EP disclosed