SCHEMBL931882

SCHEMBL931882

C=CCN(CC=C)c1ccc(F)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.34
PTP4A3 O75365 1/20 0.33
CHKA P35790 1/20 0.33
KDM4E B2RXH2 2/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
PLA2G7 Q13093 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
GRM4 Q14833 1/20 0.31
CNR2 P34972 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL3054197 0.79 TRPV4 (0.43) TRPV4AR
SCHEMBL11012305 0.77 GRM4 (0.34) ARPLA2G7ALDH1A1GRM4CNR2
SCHEMBL3165753 0.77 TRPV4 (0.39) TRPV4KDM4EARMEN1MAPT
SCHEMBL29907686 0.77 TRPV4 (0.39) TRPV4KDM4EARMEN1MAPT
SCHEMBL3050947 0.76 AR (0.49) AR
SCHEMBL3060332 0.76 VCAM1 (0.40) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL3051509 0.73 VCAM1 (0.50) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL2515805 0.73 CHKA (0.40) CHKAKDM4EMEN1MAPTKMT2A
SCHEMBL2656097 0.72 XDH (0.43) TRPV4PTP4A3KDM4EARMEN1
SCHEMBL6153135 0.71 KCNA5 (0.40) CHKA

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-2011002408-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-2011002408-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