SCHEMBL5357947

SCHEMBL5357947

COCCS(=O)(=O)c1nc(Nc2nc(C)cs2)ns1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 7/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 2/20 0.36
GRM5 P41594 3/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
FDPS P14324 1/20 0.34

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
SCHEMBL5297823 0.81 KMT2A (0.35) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL5299398 0.75 KCNH3 (0.44) ALDH1A1KDM4EGAAMAPTRAB9A
SCHEMBL5294263 0.73 NPC1 (0.46) GAARAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL5288067 0.68 LOX (0.34)
SCHEMBL5301119 0.66 LOX (0.30)
SCHEMBL12922160 0.64 ALDH1A1 (0.62) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL5368956 0.64
SCHEMBL5362184 0.63 NPC1 (0.40) ALDH1A1GAAMAPTHPGDRAB9A
SCHEMBL5362192 0.62 LMNA (0.33) ALDH1A1MAPTHPGDSMN1; SMN2POLB
SCHEMBL5359842 0.62 LMNA (0.33) ALDH1A1HPGDSMN1; SMN2POLBLMNA

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-2007012724-A1 1,2,4-THIADIAZOLE DERIVATIVES ANTIFUNGAL COMPOUNDS, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF CYTOMICS SYSTEMS (FR) 2007-02-01 WO disclosed