SCHEMBL15210370

SCHEMBL15210370

O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)O)c(NC(=O)Nc2ccccc2)c1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.59
GRIK2 Q13002 1/20 0.59
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
TP53 P04637 1/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51

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
SCHEMBL15219449 0.98 GRIK1 (0.60) GRIK1GRIK2CA12CA1CA2
SCHEMBL15210456 0.88 KCNJ6 (0.53) GRIK1GRIK2CA12CA1CA2
SCHEMBL15219645 0.86 KCNJ6 (0.55) CA12CA1CA2CA9TP53
SCHEMBL15263537 0.84 TP53 (0.59) GRIK1GRIK2CA12CA1CA2
SCHEMBL15210368 0.84 CA12 (0.53) CA12CA1CA2CA9TP53
SCHEMBL21773340 0.84 IDH1 (0.61) CA12CA1CA2CA9TP53
SCHEMBL10802231 0.82 CA2 (0.54) CA12CA1CA2CA9TP53
SCHEMBL17255098 0.79 ENPP2 (0.72) CA12CA1CA2CA9TP53
SCHEMBL26977995 0.79 ENPP2 (0.72) CA12CA1CA2CA9TP53
SCHEMBL4353216 0.79 MAPT (0.56) CA12CA1CA2CA9TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817402-B1 COLOR PROTECTION DETERGENT HENKEL AG & CO KGAA (DE) 2017-07-05 EP disclosed
US-8940681-B2 Color protection detergent HENKEL AG & CO. KGAA (DE) 2015-01-27 US disclosed
EP-2817402-A1 COLOR PROTECTION DETERGENT Henkel AG&Co. KGAA (DE) 2014-12-31 EP disclosed
US-20140352080-A1 COLOR PROTECTION DETERGENT HENKEL AG & CO. KGAA (DE) 2014-12-04 US disclosed
WO-2013123981-A1 COLOR PROTECTION DETERGENT HENKEL AG & CO. KGAA (DE) 2013-08-29 WO disclosed