SCHEMBL7420570

SCHEMBL7420570

CC(C)C[C@H](N)C(=O)N(C(=O)OC(C)(C)C)c1n[nH]c(=S)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
APOBEC3G Q9HC16 4/20 0.34
HPGD P15428 2/20 0.34
MMP3 P08254 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GAA P10253 1/20 0.31
USP30 Q70CQ3 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7426509 0.81 MMP3 (0.39) KDM4EALDH1A1APOBEC3GMMP3GAA
SCHEMBL7360658 0.76 KMT2A (0.34) KDM4EALDH1A1APOBEC3GHPGDMMP3
SCHEMBL11299252 0.70 LARS1 (0.39)
SCHEMBL8693203 0.66 SLC7A5 (0.36)
SCHEMBL10953721 0.64 SLC7A5 (0.41)
SCHEMBL28195149 0.64 SLC7A5 (0.41)
SCHEMBL11473563 0.64 MCL1 (0.41) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL8773630 0.63 SLC7A5 (0.36)
SCHEMBL7349668 0.63 GRIK1 (0.35)
SCHEMBL28916811 0.62 SLC7A5 (0.35) CA1CA2

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed