SCHEMBL5221138

SCHEMBL5221138

COC(=O)c1cc(N)c(OC)c(N2CCCCS2(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 3/20 0.38
USP2 O75604 1/20 0.37
LDHA P00338 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 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
SCHEMBL5220487 0.96 KDM4E (0.47) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL5221149 0.88 KDM4E (0.46) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL5219776 0.87 KDM4E (0.50) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL5220495 0.84 KDM4E (0.44) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL5219375 0.83 KDM4E (0.48) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL5217567 0.82 POLB (0.37) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL5218051 0.82 BACE1 (0.51) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL5217563 0.82 POLB (0.37) KDM4ENPC1SMN1; SMN2RAB9ANPSR1
SCHEMBL5223581 0.82 KMT2A (0.43) KDM4ESMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL5222772 0.81 KDM4E (0.41) KDM4ENPC1SMN1; SMN2RAB9ANPSR1

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