SCHEMBL5223792

SCHEMBL5223792

Cc1c(N)cc(C(=O)O)c(F)c1N1CCCS1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIK3C3 Q8NEB9 4/20 0.35
TP53 P04637 4/20 0.34
WDR5 P61964 3/20 0.33
IP6K1 Q92551 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KEAP1 Q14145 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
P2RX7 Q99572 1/20 0.31
RBBP5 Q15291 1/20 0.31
ASH2L Q9UBL3 1/20 0.31

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
SCHEMBL5221024 0.81 PIK3C3 (0.35) POLBPIK3C3TP53P2RX7
SCHEMBL5219385 0.75 POLB (0.39) KMT2APOLBKDM4EMEN1TDP1
SCHEMBL19149297 0.70 KDM4E (0.55) KMT2APOLBKDM4EMEN1TDP1
SCHEMBL5222493 0.69 PIK3C3 (0.39) POLBKDM4EPIK3C3TP53CDK1
SCHEMBL5222900 0.68 CTSD (0.37) POLBPIK3C3TP53CDK1CDK2
SCHEMBL30381157 0.68 POLB (0.39) POLBPIK3C3TP53CDK1CDK2
SCHEMBL5223174 0.68 BACE1 (0.49) POLBPIK3C3TP53
SCHEMBL14687798 0.67 POLB (0.53) POLBPIK3C3TP53CDK1CDK2
SCHEMBL14687626 0.67 POLB (0.53) POLBTP53CDK1CDK2P2RX7
SCHEMBL2738017 0.67 TP53 (0.44) POLBPIK3C3TP53CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed