SCHEMBL2556029

SCHEMBL2556029

CCOC(=O)Cc1cc(Br)ccc1Oc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 3/20 0.38
JAK2 O60674 1/20 0.38
PAK4 O96013 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
GRK5 P34947 1/20 0.38

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
SCHEMBL2557143 0.83 HSD17B10 (0.47) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL15270946 0.80 KDM4E (0.50) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL31053280 0.80 LMNA (0.50) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL31053274 0.80 KDM4E (0.50) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11965268 0.80 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL11965266 0.80 PTGDR2 (0.43) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL2558706 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR2AMAPT
SCHEMBL2557947 0.79 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL1643221 0.78 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL1643557 0.78 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HRH3HTR2A

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed