SCHEMBL5219375

SCHEMBL5219375

COC(=O)c1cc(N)c(C)c(N2CCCS2(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
PIK3C3 Q8NEB9 2/20 0.41
HSD17B10 Q99714 3/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 7/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 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
SCHEMBL5219776 0.96 KDM4E (0.50) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5220487 0.86 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5219772 0.84 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5221138 0.83 KDM4E (0.49) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5222480 0.82 CTSD (0.44) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5224653 0.81 MEN1 (0.44) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL5218030 0.79 BACE1 (0.47) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL1479646 0.78 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5220082 0.78 MEN1 (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1583553 0.77 TP53 (0.52) KDM4ENPC1RAB9ASMN1; SMN2NPSR1

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-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed