SCHEMBL28569065

SCHEMBL28569065

CC(C(=O)Nc1ccccc1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
CA4 P22748 4/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGS2 P35354 1/20 0.51
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46

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
SCHEMBL17365594 0.84 POLB (0.66) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7748974 0.84 POLB (0.66) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL16307627 0.80 MAPT (0.63) CA12CA1CA2CA9CA4
SCHEMBL6625967 0.78 KMT2A (0.72) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL30838569 0.78 AKR1C3 (0.46) CA12CA1CA2CA9CA4
SCHEMBL9913187 0.77 PTGS2 (0.72) CA12CA1CA2CA9KMT2A
SCHEMBL13723847 0.77 AKR1C3 (0.70) LMNAPTGS2TSHR
SCHEMBL4372856 0.76 MAPT (0.76) CA12CA1CA2CA9CA4
SCHEMBL27291251 0.76 MAPT (0.76) CA12CA1CA2CA9CA4
SCHEMBL3151838 0.76 MAPT (0.76) CA12CA1CA2CA9CA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851557-B Sulfo-substituted biaryl compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-06-10 CN disclosed
CN-112851557-A Sulfo-substituted biaryl compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2021-05-28 CN disclosed