SCHEMBL4629782

SCHEMBL4629782

O=C(O)Nc1nc(CC(O)CO)cs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
PDE5A O76074 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL465934 0.80 SMN1; SMN2 (0.51) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL3612370 0.78 SMN1; SMN2 (0.49) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL12468610 0.76 SMN1; SMN2 (0.50) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL17674539 0.76 SMN1; SMN2 (0.50) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL3511778 0.76 SMN1; SMN2 (0.50) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL353851 0.76 SMN1; SMN2 (0.73) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL367981 0.73 SMN1; SMN2 (0.51) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL4259400 0.73 L3MBTL1 (0.39) SMN1; SMN2KMT2ANPC1RAB9ALMNA
SCHEMBL2576612 0.73 KMT2A (0.47) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL3607475 0.72 PDE5A (0.70) PDE5AKDM4E

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-1921074-A1 THIAZOLE DERIVATIVE Astellas Pharma Inc. (JP) 2008-05-14 EP disclosed