SCHEMBL5492084

SCHEMBL5492084

O=S1(=O)CCN(CCCOC(CO)N2CCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 9/20 0.34
HPGD P15428 1/20 0.33
KDM4E B2RXH2 4/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4683645 0.72 RAB9A (0.32) HPGD
SCHEMBL5127782 0.72 HRH3 (0.39) CYP2D6HRH3KDM4EALDH1A1MEN1
SCHEMBL7607654 0.70 HRH2 (0.38) HRH3KDM4EALDH1A1MEN1KMT2A
SCHEMBL7246376 0.70 CYP1A2 (0.45) HRH3KDM4EALDH1A1CYP1A2POLB
SCHEMBL1097459 0.68 KMT2A (0.36) CNR2HRH3HPGDKDM4EALDH1A1
SCHEMBL23634952 0.67 HPGD (0.41) HRH3HPGDKDM4EALDH1A1MEN1
SCHEMBL13202682 0.67 HPGD (0.41) HRH3HPGDKDM4EALDH1A1MEN1
SCHEMBL7161466 0.67 HRH3 (0.41) CYP2D6HRH3HPGDKDM4EALDH1A1
SCHEMBL2850740 0.66 PAOX (0.37) CNR2HRH3HPGDALDH1A1MEN1
SCHEMBL27956322 0.66 FDPS (0.35) MAPK1MAPT

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
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP claimed