SCHEMBL806582

SCHEMBL806582

CCOc1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.66
▸ POLB P06746 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ HTT P42858 2/20 0.60
▸ MAPT P10636 1/20 0.57
▸ TSHR P16473 2/20 0.56
▸ LMNA P02545 1/20 0.54
▸ CYP2C19 P33261 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MRGPRX1 Q96LB2 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL806585 0.78 POLB (0.69) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL16083225 0.73 ALDH1A1 (0.65) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL10144715 0.73 MEN1 (0.62) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL11228239 0.72 HTT (0.67) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL24445724 0.72 MAPT (0.66) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL31222507 0.72 MAPT (0.66) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL806586 0.71 POLB (0.77) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL195869 0.71 MAPT (0.81) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL9312776 0.70 GAA (0.84) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL18101781 0.69 MAPT (0.77) GAAMEN1KMT2AALDH1A1HTT

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
US-9212134-B2 Inhibitors of viral entry into mammalian cells MICROBIOTIX, INC. (US) 2015-12-15 — — US disclosed
WO-2012037119-A2 INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS MICROBIOTIX, INC. (US) 2012-03-22 — — WO disclosed
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