SCHEMBL11697702

SCHEMBL11697702

Cc1cc(=O)n(-c2cccc(S(=O)(=O)O)c2)[nH]1.Nc1cc(Cl)cc(S(=O)(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 5/20 0.41
HTT P42858 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MPL P40238 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NOD2 Q9HC29 1/20 0.35
RECQL P46063 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
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
SCHEMBL11698299 0.89 MAPT (0.47) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL11694309 0.84 MPL (0.42) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL10698670 0.83 ALDH1A1 (0.53) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL393039 0.83 ALDH1A1 (0.53) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL7698334 0.82 ALDH1A1 (0.48) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL11316773 0.79 ALDH1A1 (0.55) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL11688890 0.79 MPL (0.47) MAPTALDH1A1KMT2AGAAHTT
Anthranilic Acid SCHEMBL11706693 0.77 ALDH1A1 (0.45) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL4023307 0.74 MAPT (0.57) MAPTALDH1A1KMT2AGAAHTT
SCHEMBL8751489 0.74 ALDH1A1 (0.54) MAPTALDH1A1KMT2AGAAHTT

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
US-4045424-A Salt of a sulfonic acid substituted 1:2 metal complex dye with a basic dye and an amine BASF AKTIENGESELLSCHAFT (DT) 1977-08-30 US disclosed