SCHEMBL9811289

SCHEMBL9811289

O=C([O-])C(CSc1nc2ccccc2s1)C(C(=O)[O-])c1ccccc1.O=C([O-])C(CSc1nc2ccccc2s1)C(C(=O)[O-])c1ccccc1.O=C([O-])C(CSc1nc2ccccc2s1)C(C(=O)[O-])c1ccccc1.[Al+3].[Al+3]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
APEX1 P27695 2/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
Zinc Ion SCHEMBL10358411 0.82 MAPT (0.56) POLBAPEX1RECQLSMN1; SMN2ALDH1A1
Zinc Ion SCHEMBL9811305 0.81 POLB (0.52) POLBAPEX1RECQLSMN1; SMN2ALDH1A1
SCHEMBL9811017 0.81 MAPT (0.55) POLBAPEX1RECQLSMN1; SMN2ALDH1A1
SCHEMBL10757742 0.81 APEX1 (0.54) POLBAPEX1RECQLSMN1; SMN2ALDH1A1
SCHEMBL9811045 0.81 MAPT (0.55) POLBAPEX1RECQLSMN1; SMN2ALDH1A1
Potassium Ion SCHEMBL9811070 0.79 MAPT (0.53) POLBAPEX1RECQLSMN1; SMN2ALDH1A1
SCHEMBL8971875 0.78 ALDH1A1 (0.60) POLBAPEX1RECQLSMN1; SMN2ALDH1A1
SCHEMBL10598608 0.77 APEX1 (0.56) POLBAPEX1RECQLSMN1; SMN2ALDH1A1
SCHEMBL366870 0.76 APEX1 (0.61) POLBAPEX1RECQLSMN1; SMN2ALDH1A1
SCHEMBL10358412 0.76 ALDH1A1 (0.60) POLBAPEX1RECQLSMN1; SMN2ALDH1A1

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
EP-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed