SCHEMBL931923

SCHEMBL931923

COc1ccc(C(=N)c2cccc(Br)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.49
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
HPGD P15428 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1I2 O75469 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
SCHEMBL15372988 0.88 PRSS1 (0.53) MEN1KMT2APRSS1PRSS2PRSS3
SCHEMBL18540642 0.87 PRSS1 (0.49) C1SLMNAMEN1KMT2ARAB9A
SCHEMBL8066297 0.82 RAB9A (0.66) LMNAMEN1MAPTKMT2ARAB9A
SCHEMBL16424951 0.81 CTSK (0.51) MAPTRAB9APRSS1PRSS2PRSS3
SCHEMBL10194074 0.80 ALDH1A1 (0.52) LMNARAB9AMAPK1PRSS1PRSS2
SCHEMBL2282008 0.80 MAPT (0.46) C1SLMNAMEN1MAPTKMT2A
SCHEMBL4120055 0.80 CES2 (0.66) LMNAMEN1MAPTKMT2ARAB9A
SCHEMBL3458301 0.80 LMNA (0.69) LMNAMEN1MAPTKMT2ARAB9A
SCHEMBL4445973 0.80 CES2 (0.64) MAPTRAB9APRSS1PRSS2PRSS3
SCHEMBL5082858 0.80 PRSS1 (0.67) LMNAMAPTMAPK1NPSR1PRSS1

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