SCHEMBL5050324

SCHEMBL5050324

CCCCc1ccc(CN(Cc2cccc(OC(C)=O)c2)S(=O)(=O)c2cn(C)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CNR2 P34972 1/20 0.41
TAS2R14 Q9NYV8 4/20 0.39
FNTA P49354 6/20 0.39
FNTB P49356 6/20 0.39
PGGT1B P53609 3/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 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
SCHEMBL4947275 0.84 TLR7 (0.52) TLR7MEN1KMT2ANR1H2NR1H3
SCHEMBL5043352 0.84 TLR7 (0.64) TLR7MEN1KMT2AGAANR1H2
SCHEMBL6058798 0.75 MEN1 (0.52) TLR7MEN1KMT2ANR1H2NR1H3
SCHEMBL5046369 0.75 CA12 (0.66) MEN1KMT2ACA12CA1CA2
SCHEMBL8211041 0.74 CA12 (0.52) MEN1KMT2ANR1H2NR1H3CA12
SCHEMBL13626587 0.74 NR1H2 (0.43) MEN1KMT2AGAANR1H2NR1H3
Hydrochloric Acid SCHEMBL5046437 0.74 CA12 (0.51) MEN1KMT2ANR1H2NR1H3CA12
SCHEMBL8272711 0.72 PTGER2 (0.49) MEN1KMT2ANR1H2NR1H3CA12
SCHEMBL1790266 0.72 PPARA (0.57)
SCHEMBL6466843 0.72 PTGER2 (0.59) NR1H2NR1H3FNTAFNTBPGGT1B

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
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed