SCHEMBL28118650

SCHEMBL28118650

N=C(N)C1(c2ccccc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.53
HDAC4 P56524 2/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3663470 0.96 AKR1C1 (0.59) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL1622891 0.91 AKR1C1 (0.47) AKR1C1HDAC4MEN1KMT2AHSD11B1
Hydrochloric Acid SCHEMBL28933139 0.89 AKR1C1 (0.45) AKR1C1HDAC4KMT2AHSD11B1
SCHEMBL12235292 0.81 AKR1C1 (0.55) AKR1C1HDAC4MEN1KMT2AHSD11B1
Hydrochloric Acid SCHEMBL3068740 0.80 KMT2A (0.52) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL2184245 0.79 AKR1C1 (0.64) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL42114 0.75 AKR1C1 (0.70) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL15866990 0.74 HDAC4 (0.59) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL15866995 0.74 SLC6A4 (0.51) HDAC4DPP4
SCHEMBL1667343 0.74 AKR1C1 (0.91) AKR1C1HDAC4MEN1KMT2AHSD11B1

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
CN-106414443-A Pyridopyrimidinedione derivatives 诺华股份有限公司 2017-02-15 CN disclosed