SCHEMBL27872125

SCHEMBL27872125

CCC(N)(CC)CNC(=O)c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
LMNA P02545 5/20 0.53
SLC22A2 O15244 1/20 0.53
SLC22A1 O15245 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
ACHE P22303 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
EPHX2 P34913 2/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
ESRRG P62508 1/20 0.49
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5939825 0.85 PRSS1 (0.55) MAPTLMNAALDH1A1EPHX2ESRRG
SCHEMBL9659945 0.84 LMNA (0.57) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL28795015 0.81 ALDH1A1 (0.55) HIF1AALDH1A1EPHX2BLMKMT2A
SCHEMBL854839 0.78 MAPT (0.63) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL5119130 0.77 KDM4E (0.58) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL19302966 0.77 EPHX2 (0.55) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL1290599 0.75 LMNA (0.68) KDM4EMAPTHIF1ASLC22A6SLC22A8
Dimethylamine SCHEMBL6108538 0.75 MAPT (0.59) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL10545735 0.75 KDM4E (0.59) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL10874011 0.74 L3MBTL1 (0.46) LMNAALDH1A1MAPK1KMT2APOLB

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
CN-102449165-B Genetic markers for risk management of atrial fibrillation and stroke DECODE GENETICS EHF 2014-07-09 CN disclosed
CN-102449165-A Genetic markers for risk management of atrial fibrillation and stroke DECODE GENETICS EHF 2012-05-09 CN disclosed