SCHEMBL9458657

SCHEMBL9458657

O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(S(=O)(=O)c3cccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)c3)c1)C2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA4 P22748 2/20 0.62
CA9 Q16790 2/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 3/20 0.60
MAPT P10636 2/20 0.60
RECQL P46063 1/20 0.60
S100B P04271 1/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TDP1 Q9NUW8 1/20 0.56
GFER P55789 1/20 0.55
LPAR1 Q92633 1/20 0.54
LPAR5 Q9H1C0 1/20 0.54
LPAR3 Q9UBY5 1/20 0.54
POLB P06746 4/20 0.53
PTGER4 P35408 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL10388029 0.95 CA9 (0.67) CA1CA2CA4CA9KMT2A
SCHEMBL9564308 0.87 HSD17B10 (0.72) CA1CA2CA4CA9KMT2A
SCHEMBL4230581 0.86 S100B (0.74) CA1CA2CA4CA9KMT2A
SCHEMBL9633095 0.85 CA9 (0.80) CA1CA2CA4CA9KMT2A
SCHEMBL12112140 0.84 ALDH1A1 (0.59) CA1CA2CA4CA9KMT2A
SCHEMBL1618163 0.82 KMT2A (0.76) CA1CA2CA4CA9KMT2A
SCHEMBL5012357 0.82 HSD17B10 (0.66) CA1CA2CA4CA9KMT2A
SCHEMBL9458520 0.82 TDP1 (0.77) CA1CA2CA4CA9KMT2A
SCHEMBL7567814 0.82 ESR1 (0.72) CA1CA2CA4CA9KMT2A
SCHEMBL10710060 0.81 NR1H3 (0.54) CA1CA2CA9KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217571-A Pretreatment, applying to surface in solvent BASF AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed
US-5092890-A Thermotropic mesomorphic polymer, apatite, filler BASF AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5068308-A Multistage polycondensation of aromatic compounds and separation of product from fatty acid BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed