SCHEMBL8310334

SCHEMBL8310334

COC(=O)c1ccc(Br)c(O)c1SC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
CA12 O43570 4/20 0.42
CA7 P43166 4/20 0.42
CA14 Q9ULX7 4/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GLA P06280 2/20 0.37

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
SCHEMBL8308572 0.81 MCL1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL29265618 0.80 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL18761745 0.80 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL15201401 0.79 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL24533851 0.77 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL979279 0.77 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL1352841 0.76 GAA (0.50) CA1CA2CA9CA12CA7
SCHEMBL31474052 0.76 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL1976655 0.76 ABL1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL25606874 0.74 CA1 (0.46) CA1CA2CA9CA12CA7

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
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed