SCHEMBL29045641

SCHEMBL29045641

C=CS(=O)(=O)NNC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 6/20 0.59
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAOA P21397 1/20 0.49
GAA P10253 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PTGS2 P35354 1/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL11048486 0.78 KAT6A (0.54) KAT6AMEN1KMT2AMAOAGAA
Benzene SCHEMBL28257695 0.77 KAT6A (0.67) KAT6AMEN1KMT2AMAOAGAA
SCHEMBL3148896 0.76 KAT6A (0.65) KAT6AMEN1KMT2AMAOAGAA
SCHEMBL4765513 0.74 KAT6A (1.00) KAT6AMEN1KMT2AGAACYP3A4
SCHEMBL400890 0.73 RAB9A (0.77) KAT6AMEN1KMT2AMAOAGAA
SCHEMBL28875360 0.72 SMN1; SMN2 (0.71) KAT6AMEN1KMT2AMAOAGAA
SCHEMBL8840278 0.72 RAB9A (0.57) MEN1KMT2AMAOAGAANPC1
SCHEMBL6773124 0.71 KAT6A (0.59) KAT6AMEN1KMT2AMAOAGAA
SCHEMBL28787294 0.71 KAT6A (0.59) KAT6AMEN1KMT2AMAOAGAA
SCHEMBL12324391 0.71 RAB9A (0.82) MEN1KMT2AMAOAGAANPC1

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
CN-116514865-A Click reagent based on phosphoric acid enrichment 上海科技大学 2023-08-01 CN disclosed