SCHEMBL11844829

SCHEMBL11844829

CCCCOc1ccc(S(=O)(=O)Oc2ccc(N)c(N)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.56
▸ CA1 P00915 4/20 0.56
▸ CA2 P00918 4/20 0.56
▸ CA9 Q16790 4/20 0.56
▸ TSHR P16473 4/20 0.56
▸ CA7 P43166 3/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ RECQL P46063 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 5/20 0.42
▸ HTT P42858 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ ADAMTS4 O75173 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MMP14 P50281 1/20 0.42

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
SCHEMBL11848703 0.94 CA1 (0.56) CA12CA1CA2CA9TSHR
SCHEMBL11467050 0.91 CA12 (0.56) CA12CA1CA2CA9TSHR
SCHEMBL11458885 0.86 CA1 (0.56) CA12CA1CA2CA9TSHR
SCHEMBL11627347 0.84 MAPT (0.52) CA12CA1CA2CA9TSHR
SCHEMBL9309449 0.84 L3MBTL1 (0.58) CA12CA1CA2CA9TSHR
SCHEMBL10738950 0.83 ALPL (0.52) CA2L3MBTL1MAPK1GAATDP1
SCHEMBL11082558 0.82 L3MBTL1 (0.47) CA2L3MBTL1MAPK1GAATDP1
SCHEMBL11841583 0.82 GAA (0.47) CA12CA1CA2CA9CA7
SCHEMBL11852879 0.80 MEN1 (0.56) CA12CA1CA2CA9L3MBTL1
SCHEMBL11844234 0.80 TDP1 (0.62) CA1CA2CA9L3MBTL1MAPK1

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-3996368-A Anthelmintically active 2-carbalkoxyamino-5(6)-phenyl sulfonyloxy benzimidazoles HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 — — US disclosed
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