SCHEMBL4010208

SCHEMBL4010208

O=C(NC=S(=O)=O)Oc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
CHRNA7 P36544 2/20 0.39
LDHA P00338 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1858874 0.72 PTGDR2 (0.49) KMT2AMEN1LMNAMAPK1RAB9A
SCHEMBL20820013 0.72 MGLL (0.54) MGLLCHRNA7LDHAKMT2AMEN1
SCHEMBL28965293 0.69 MGLL (0.51) MGLLCHRNA7LDHAKMT2AMEN1
SCHEMBL9860556 0.69 LDHA (0.47) MGLLCHRNA7LDHAKMT2AMEN1
SCHEMBL57101 0.68 MEN1 (0.50) MGLLCHRNA7LDHAKMT2AMEN1
SCHEMBL17351030 0.68 MGLL (0.46) MGLLCHRNA7LDHAKMT2AMEN1
SCHEMBL27514766 0.68 KMT2A (0.51) MGLLCHRNA7KMT2AMEN1MAPT
SCHEMBL11341571 0.68 MGLL (0.58) MGLLCHRNA7LDHAKMT2AMEN1
SCHEMBL26136337 0.68 MGLL (0.67) MGLLKMT2AMEN1MAPTPOLB
SCHEMBL28167843 0.68 MGLL (0.50) MGLLCHRNA7LDHAKMT2AMEN1

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
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO disclosed