SCHEMBL11846331

SCHEMBL11846331

Cc1ccc(S(=O)(=O)Oc2ccc(N)c(N)c2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ NR4A1 P22736 1/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39

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
SCHEMBL11843357 0.85 ALDH1A1 (0.45) LMNASMN1; SMN2CYP3A4ALOX15TDP1
SCHEMBL11841905 0.85 TP53 (0.42) LMNASMN1; SMN2TP53CYP3A4THRB
SCHEMBL11856777 0.83 MEN1 (0.58) LMNASMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL11848868 0.83 TSHR (0.56) LMNASMN1; SMN2CYP3A4ALOX15TDP1
SCHEMBL11852879 0.80 MEN1 (0.56) LMNASMN1; SMN2TP53CYP3A4THRB
SCHEMBL28006672 0.77 LMNA (0.56) LMNASMN1; SMN2CYP3A4ALOX15MAPT
SCHEMBL11846744 0.77 ALDH1A1 (0.57) SMN1; SMN2CYP3A4ALOX15TDP1MAPT
SCHEMBL11847999 0.76 ALPL (0.40) LMNASMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL11844362 0.76 F2 (0.53) LMNASMN1; SMN2TP53CYP3A4THRB
SCHEMBL11772508 0.75 LMNA (0.59) LMNASMN1; SMN2TDP1MAPTALDH1A1

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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