SCHEMBL4943403

SCHEMBL4943403

FC(F)c1ccc(CN2CCOCC2)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
HRH3 Q9Y5N1 2/20 0.51
NCF1 P14598 1/20 0.48
CYP2A13 Q16696 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
PDE4B Q07343 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
KCNJ1 P48048 1/20 0.42

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
SCHEMBL5503947 0.84 LMNA (0.47) HTTNCF1KDM4EALDH1A1CA2
SCHEMBL2376586 0.81 KDM4E (0.68) HTTHRH3NCF1CYP2A13SMN1; SMN2
SCHEMBL538318 0.78 HTT (0.58) HTTHRH3NCF1CYP2A13SMN1; SMN2
SCHEMBL19603235 0.78 HTT (0.62) HTTHRH3NCF1CYP2A13SMN1; SMN2
SCHEMBL4943379 0.78 HTT (0.58) HTTHRH3NCF1CYP2A13SMN1; SMN2
SCHEMBL1141938 0.76 HRH3 (0.61) HTTHRH3NCF1CYP2A13SMN1; SMN2
SCHEMBL1929649 0.75 HTT (0.58) HTTHRH3NCF1CYP2A13SMN1; SMN2
SCHEMBL21925208 0.75 MAPT (0.58) HTTHRH3NCF1CYP2A13SMN1; SMN2
SCHEMBL19582754 0.74 HTT (0.69) HTTHRH3NCF1CYP2A13SMN1; SMN2
SCHEMBL5185746 0.74 HTT (0.73) HTTHRH3NCF1SMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed