SCHEMBL11844196

SCHEMBL11844196

CC(C)Oc1ccc(S(=O)(=O)Oc2ccc(N)c(N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PARP10 Q53GL7 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MMP2 P08253 2/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP14 P50281 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 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
SCHEMBL11448847 0.91 FFAR4 (0.43) FFAR4L3MBTL1TDP1HTTLMNA
SCHEMBL11081800 0.85 TDP1 (0.47) L3MBTL1TDP1HTTLMNASMN1; SMN2
SCHEMBL11624067 0.84 ALDH1A1 (0.47) FFAR4TDP1HTTSMN1; SMN2GAA
SCHEMBL11852879 0.83 MEN1 (0.56) L3MBTL1TDP1HTTLMNASMN1; SMN2
SCHEMBL11844234 0.83 TDP1 (0.62) FFAR4L3MBTL1TDP1HTTLMNA
SCHEMBL11841583 0.81 GAA (0.47) L3MBTL1TDP1HTTLMNASMN1; SMN2
SCHEMBL11848172 0.80 TDP1 (0.57) L3MBTL1TDP1HTTLMNASMN1; SMN2
SCHEMBL11091725 0.80 CA2 (0.46) FFAR4L3MBTL1TDP1HTTLMNA
SCHEMBL10652647 0.80 CA12 (0.47) L3MBTL1TDP1HTTLMNASMN1; SMN2
SCHEMBL11841874 0.79 TDP1 (0.56) L3MBTL1TDP1HTTLMNASMN1; SMN2

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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