SCHEMBL5219385

SCHEMBL5219385

Cc1c(C(=O)O)cc(N2CCCS2(=O)=O)c(C)c1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PIK3C3 Q8NEB9 4/20 0.38
CDK1 P06493 6/20 0.36
CDK2 P24941 6/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 3/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
IP6K1 Q92551 1/20 0.32

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
SCHEMBL5223792 0.75 KMT2A (0.37) POLBPIK3C3CDK1CDK2KDM4E
SCHEMBL2738017 0.75 TP53 (0.44) POLBPIK3C3CDK1CDK2TP53
SCHEMBL6828695 0.75 POLB (0.47) POLBPIK3C3KDM4EMEN1KMT2A
SCHEMBL30381157 0.73 POLB (0.39) POLBPIK3C3CDK1CDK2TP53
SCHEMBL14686943 0.70 POLB (0.55) POLBCDK1CDK2TP53
SCHEMBL5219375 0.70 KDM4E (0.48) PIK3C3KDM4EKMT2ATP53
SCHEMBL2806672 0.70 KDM4E (0.59) POLBKDM4EMEN1KMT2ATDP1
SCHEMBL27711418 0.69 POLB (0.41) POLBPIK3C3CDK1CDK2TDP1
SCHEMBL1479429 0.69 POLB (0.53) POLBPIK3C3KDM4ETDP1TP53
SCHEMBL14687798 0.69 POLB (0.53) POLBPIK3C3CDK1CDK2TP53

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