SCHEMBL27872126

SCHEMBL27872126

CCC(CC)(CN)NC(=O)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ACHE P22303 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 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
SCHEMBL9659950 0.89 KDM4E (0.47) LMNATSHRCYP2C19SLC22A2SLC22A1
SCHEMBL5939832 0.85 POLB (0.51) LMNACYP2C19ALDH1A1MAPTKMT2A
SCHEMBL28795018 0.81 CACNA1B (0.50) ALDH1A1MAPTHIF1AMEN1KMT2A
SCHEMBL5940572 0.79 HTT (0.52) LMNATSHRCYP2C19SLC22A2SLC22A1
SCHEMBL22987140 0.77 KDM4E (0.49) LMNATSHRCYP2C19SLC22A2SLC22A1
SCHEMBL854187 0.74 LMNA (0.53) LMNAMAPTKDM4EHIF1ASLC22A6
SCHEMBL11985612 0.74 EPHX2 (0.46) LMNATSHRCYP2C19SLC22A2SLC22A1
SCHEMBL22987109 0.74 NPC1 (0.44) LMNATSHRCYP2C19SLC22A2SLC22A1
SCHEMBL6555537 0.74 SMN1; SMN2 (0.52) LMNAALDH1A1MAPK1MAPTKDM4E
SCHEMBL13994618 0.73 POLB (0.58) LMNACYP2C19ALDH1A1MAPK1MAPT

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