SCHEMBL14201710

SCHEMBL14201710

O=S(=O)(O)c1cccc2c(NCCCOCc3ccccc3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR8 P51685 2/20 0.39
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM2 Q14416 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL14228843 0.83 TSHR (0.44) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL14201709 0.78 ALDH1A1 (0.56) NSD2ALDH1A1KDM4EHPGDGAA
SCHEMBL5016478 0.77 CNR1 (0.52) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL5022978 0.77 CNR1 (0.49) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL14201706 0.74 L3MBTL1 (0.39) L3MBTL1ALDH1A1TTRCYP1A2CYP2C19
SCHEMBL8395502 0.74 NPC1 (0.56) ALDH1A1HPGD
SCHEMBL29892518 0.74 NPC1 (0.56) ALDH1A1HPGD
SCHEMBL29892522 0.74 NPC1 (0.56) ALDH1A1HPGD
SCHEMBL15282372 0.74 TTR (0.47) NSD2ALDH1A1KDM4EHPGDGAA
SCHEMBL29349851 0.74 CA12 (0.54) ALDH1A1KDM4EMAPTTSHRHSD17B10

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
US-7365223-B2 Method for selective targeting of apoptotic cells and small molecule ligands used thereof NST NEUROSURVIVAL TECHNOLOGIES LTD (IL) 2008-04-29 US disclosed