SCHEMBL28787642

SCHEMBL28787642

CCCCc1nc(C(=O)c2csc(CCCC)n2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ECE1 P42892 1/20 0.41
KDM4E B2RXH2 2/20 0.38
MAPT P10636 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 2/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1246008 0.88 PLA2G4A (0.55) PLA2G4ASLC6A3ECE1KDM4EMAPT
SCHEMBL13447428 0.86 DPP4 (0.41) PLA2G4ASLC6A3ECE1KDM4EMAPT
SCHEMBL3698353 0.83 PLA2G4A (0.57) PLA2G4AECE1KDM4EMAPTCYP1A2
SCHEMBL2142396 0.82 RAB9A (0.57) PLA2G4AMAPTNPC1RAB9AHSP90AA1
SCHEMBL27867999 0.81 PLA2G4A (0.60) PLA2G4AECE1KDM4EHCAR3HCAR2
SCHEMBL3549517 0.81 PLA2G4A (0.60) PLA2G4AECE1KDM4EHCAR3HCAR2
SCHEMBL1837764 0.81 ECE1 (0.44) PLA2G4ASLC6A3ECE1KDM4EHSP90AA1
SCHEMBL13587127 0.81 ECE1 (0.45) PLA2G4ASLC6A3ECE1MAPTNPC1
SCHEMBL27885973 0.81 RAB9A (0.40) PLA2G4ASLC6A3KDM4EMAPTNPC1
SCHEMBL29287225 0.80 ECE1 (0.46) PLA2G4AECE1KDM4EHSP90AA1CYP2C19

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-102083839-A Compound (I) ASTRAZENECA AB 2011-06-01 CN disclosed