SCHEMBL6032490

SCHEMBL6032490

CCC[C@H](O)Nc1ccc2ccccc2c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.35
CHEK1 O14757 1/20 0.35
CDK8 P49336 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KEAP1 Q14145 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL6031502 0.86 SLC2A1 (0.35) SLC2A1HSD17B10CYP2D6CHEK1CDK8
SCHEMBL18268231 0.80 IDO1 (0.46) SLC2A1CYP2D6CHEK1CDK8NEK2
SCHEMBL2524191 0.78 CYP2D6 (0.38) SLC2A1CYP2D6CHEK1CDK8NEK2
SCHEMBL2782814 0.76 CNR1 (0.56) SLC2A1HSD17B10CNR1CNR2EPHX1
SCHEMBL5699450 0.75 IDO1 (0.46) SLC2A1HSD17B10CYP2D6CHEK1CDK8
SCHEMBL6335916 0.74 CYP2D6 (0.44) HSD17B10CYP2D6CHEK1CDK8NEK2
SCHEMBL3765915 0.73 ANPEP (0.36) SLC2A1HSD17B10CYP2D6KDM4EHPGD
SCHEMBL8928010 0.73 ANPEP (0.36) SLC2A1HSD17B10CYP2D6KDM4EHPGD
SCHEMBL6362894 0.73 KDM4E (0.47) HSD17B10EPHX1KDM4EALDH1A1KMT2A
SCHEMBL5415754 0.72 METAP2 (0.44) HSD17B10CYP2D6CHEK1CDK8NEK2

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
EP-1643958-A2 METHOD FOR SELECTIVE TARGETING OF APOPTOTIC CELLS AND SMALL MOLECULE LIGANDS USED THEREOF NST Neurosurvival Technologies Ltd. (IL) 2006-04-12 EP disclosed
WO-2004110339-A2 METHOD FOR SELECTIVE TARGETING OF APOPTOTIC CELLS AND SMALL MOLECULE LIGANDS USED THEREOF NST NEUROSURVIVAL TECHNOLOGIES LTD. (IL) 2004-12-23 WO disclosed