SCHEMBL10967407

SCHEMBL10967407

CCOC(=O)CO/N=C/c1csc(NC(=O)Nc2nc(/C=N/OCC(=O)OCC)cs2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 7/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 4/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL10968388 0.81 MAPT (0.40) LMNATP53MAPTMEN1NPC1
SCHEMBL8307891 0.70 USP2 (0.40) LMNAMEN1NPC1KMT2AGAA
SCHEMBL4870707 0.69 MAPT (0.51) LMNAMAPTNPC1KMT2AGAA
SCHEMBL11370116 0.66 LMNA (0.75) LMNATP53MAPTMEN1NPC1
SCHEMBL10922914 0.66 MAPT (0.52) LMNATP53MAPTMEN1NPC1
SCHEMBL10466265 0.65 MAPT (0.49) LMNATP53MAPTMEN1KMT2A
SCHEMBL14224873 0.65 MAPT (0.38) LMNATP53MAPTMEN1NPC1
SCHEMBL14197617 0.65 MAPT (0.38) LMNATP53MAPTMEN1NPC1
SCHEMBL16741154 0.65 SMN1; SMN2 (0.46) LMNAMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL9416788 0.65 SMN1; SMN2 (0.59) LMNAMAPTNPC1GAACYP1A2

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-0075600-B1 2-THIAZOLEAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-12-30 EP disclosed