SCHEMBL932545

SCHEMBL932545

N=C(c1ccc(OC(F)F)cc1)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.45
ALOX15 P16050 1/20 0.44
GFER P55789 1/20 0.44
ADAM17 P78536 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PARP1 P09874 1/20 0.38
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 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
SCHEMBL2278865 0.82 ALOX15 (0.44) C1SALOX15GFERADAM17MRGPRX4
SCHEMBL2792829 0.82 ALOX15 (0.51) ALOX15GFERADAM17MRGPRX4ALDH1A1
SCHEMBL931923 0.80 C1S (0.49) C1SALDH1A1MAPTKDM4EPARP1
SCHEMBL8277840 0.79 C1S (0.45) C1SMRGPRX4PARP1RAB9ANPC1
SCHEMBL931617 0.78 C1S (0.41) C1SALDH1A1MAPTKDM4EPARP1
SCHEMBL931503 0.77 C1S (0.53) C1SALDH1A1PARP1ATMMEN1
SCHEMBL2821243 0.75 CES2 (0.50) MRGPRX4ALDH1A1MAPTPOLBKDM4E
SCHEMBL2281706 0.74 RAB9A (0.45) MAPTPOLBKDM4EPARP1HTT
SCHEMBL29539883 0.73 DRD1 (0.46) ALOX15GFERADAM17ALDH1A1MAPT
SCHEMBL22904 0.73 DRD1 (0.46) ALOX15GFERADAM17ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002407-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002407-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed