SCHEMBL13463537

SCHEMBL13463537

Nc1ccccc1CN1CCCCOC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
MAPT P10636 2/20 0.40
PIK3CD O00329 1/20 0.40
GRM2 Q14416 3/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 5/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2583214 0.95 PIK3CD (0.44) SIRT2SIRT1MAPTPIK3CDGRM2
SCHEMBL20695806 0.77 KDM4E (0.44) MAPTGRM2KDM4EALDH1A1CYP1A2
SCHEMBL27834661 0.76 MAPT (0.68) SIRT2SIRT1MAPTKDM4EALDH1A1
SCHEMBL14537170 0.75 MAPK1 (0.56) SIRT2SIRT1MAPTALDH1A1POLB
SCHEMBL2578048 0.75 SIRT2 (0.41) SIRT2SIRT1MAPTGRM2KDM4E
SCHEMBL2581182 0.73 ACHE (0.48) SIRT2SIRT1KDM4EALDH1A1POLB
SCHEMBL9016265 0.73 GRM2 (0.56) MAPTPIK3CDGRM2KDM4EALDH1A1
SCHEMBL14403257 0.72 ALDH1A1 (0.67) SIRT2SIRT1MAPTKDM4EALDH1A1
SCHEMBL514643 0.72 SIRT2 (0.42) SIRT2SIRT1GRM2
SCHEMBL5584770 0.71 MPO (0.51) SIRT2SIRT1MAPTGRM2KDM4E

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
WO-2010026989-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE 日産化学工業株式会社 (JP) 2010-03-11 WO disclosed