SCHEMBL2887182

SCHEMBL2887182

COc1cc(C(=O)Nc2ncc(Br)cc2Br)ccc1OC(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 4/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
PDE4B Q07343 5/20 0.47
PDE4D Q08499 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
BRD4 O60885 1/20 0.43
LMNA P02545 2/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL29824581 1.00 RAB9A (0.52) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL30084824 0.96 RAB9A (0.47) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL2887171 0.96 RAB9A (0.47) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL29824491 0.77 NPC1 (0.58) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL2887046 0.77 NPC1 (0.58) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL2891499 0.77 RAB9A (0.55) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL30084823 0.77 RAB9A (0.55) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL30084836 0.74 PDE4D (0.80) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7534706 0.74 PDE4D (0.80) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL29824340 0.73 NPC1 (0.58) RAB9ANPC1POLBTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed