SCHEMBL7764006

SCHEMBL7764006

Nc1c(Oc2ccccc2)ccc(S(=O)(=O)O)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
POLB P06746 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
APEX1 P27695 1/20 0.48
SLC7A11 Q9UPY5 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CTNNB1 P35222 1/20 0.41
TTR P02766 2/20 0.40
ALB P02768 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SOS1 Q07889 1/20 0.40
CA1 P00915 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
SCHEMBL9187136 0.87 ADORA2A (0.45) ADORA2APOLBRXFP1MEN1KMT2A
SCHEMBL21796066 0.86 ADORA2A (0.51) ADORA2APOLBRXFP1MEN1KMT2A
SCHEMBL15051973 0.80 SOS1 (0.51) ADORA2AMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL8769337 0.79 POLB (0.56) ADORA2APOLBRXFP1MEN1KMT2A
SCHEMBL1070317 0.79 ADORA2A (0.48) ADORA2APOLBRXFP1MEN1KMT2A
SCHEMBL21796059 0.78 ADORA2A (0.55) ADORA2AMEN1KMT2ACTNNB1TTR
SCHEMBL158361 0.77 CASP1 (0.51) POLBRXFP1MEN1KMT2AL3MBTL1
SCHEMBL32661421 0.77 CASP1 (0.51) POLBRXFP1MEN1KMT2AL3MBTL1
SCHEMBL11020228 0.75 POLB (0.43) POLBRXFP1MEN1KMT2AL3MBTL1
SCHEMBL6735345 0.75 ADORA2A (0.44) ADORA2APOLBRXFP1MEN1KMT2A

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-2001092424-A2 POWDER COAT DISPERSIONS (POWDER SLURRIES) THAT CONTAIN EFFECT-IMPARTING PIGMENTS BASF COATINGS AG (DE) 2001-12-06 WO disclosed