SCHEMBL7862819

SCHEMBL7862819

O=C(Cl)OSOC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
F2 P00734 1/20 0.50
TSHR P16473 4/20 0.47
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
TDP1 Q9NUW8 3/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9679649 0.89 LMNA (0.61) LMNAF2TSHRCES2CES1
SCHEMBL27388295 0.77 LMNA (0.56) LMNAF2TSHRCES2CES1
SCHEMBL5835571 0.76 LMNA (0.61) LMNAF2TSHRCES2CES1
SCHEMBL1151641 0.74 LMNA (0.58) LMNAF2TSHRCES2CES1
SCHEMBL10586328 0.73 ALDH1A1 (0.39) TSHRTDP1ALDH1A1HSD17B10PKM
Methane SCHEMBL5609245 0.72 LMNA (0.56) LMNAF2TSHRCES2CES1
SCHEMBL11551840 0.72 LMNA (0.77) LMNAF2TSHRCES2CES1
SCHEMBL4072679 0.72 TSHR (0.58) LMNAF2TSHRCES2CES1
SCHEMBL27811187 0.72 LMNA (0.56) LMNAF2TSHRCES2CES1
SCHEMBL3062362 0.71 LMNA (0.54) LMNAF2TSHRCES2CES1

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
EP-1112275-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE Metabasis Therapeutics, Inc. (US) 2001-07-04 EP disclosed
WO-2000014095-A1 NOVEL HETEROAROMATIC INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 2000-03-16 WO disclosed