SCHEMBL6828081

SCHEMBL6828081

CONCCc1cn(NC(=O)OC)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
KCNA5 P22460 3/20 0.40
KDM4E B2RXH2 3/20 0.40
KCNH2 Q12809 2/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 1/20 0.40
HDAC6 Q9UBN7 5/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
HDAC11 Q96DB2 2/20 0.39
TP53 P04637 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL6450630 0.86 MTNR1A (0.50) MEN1KMT2ARAB9ALMNA
SCHEMBL9699480 0.84 HTR2A (0.54) HTR6HDAC6HDAC10
SCHEMBL27846733 0.76 HTR6 (0.40) HTR6KCNA5KDM4EKCNH2MEN1
SCHEMBL12368655 0.74 MAPT (0.62) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL21614239 0.73 KDM4E (0.60) KDM4EMEN1KMT2ARAB9AHDAC6
SCHEMBL12017348 0.73 MEN1 (0.46) HTR6KDM4EMEN1KMT2ARAB9A
SCHEMBL7675381 0.70 HTR6 (0.55) HTR6MEN1KMT2A
SCHEMBL2535085 0.68 ALDH1A1 (0.41) KDM4EMEN1KMT2ATP53CDK2
SCHEMBL2535097 0.68 ALDH1A1 (0.41) HTR6KDM4EMEN1KMT2ATP53
SCHEMBL29169605 0.67 L3MBTL1 (0.58) HTR6MEN1KMT2ARAB9AHDAC6

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
WO-2004075847-A2 METHODS AND COMPOUNDS FOR THE TREATMENT OF Aß­ ASSOCIATED DISEASES, DISORDERS, AND CONDITIONS MESSAGE PHARMACEUTICALS, INC. (US) 2004-09-10 WO disclosed