SCHEMBL8973369

SCHEMBL8973369

O=C(O)CC(C(O)=S)c1nc2cc(Cl)ccc2s1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.55
PPARA Q07869 6/20 0.46
AKR1B1 P15121 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
SENP7 Q9BQF6 1/20 0.45
ALOX5 P09917 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8972435 0.90 AKR1B1 (0.44) HDAC6PPARAAKR1B1SENP7SMN1; SMN2
SCHEMBL8973359 0.90 HDAC6 (0.45) HDAC6PPARAAKR1B1LOXL2SENP7
SCHEMBL8972967 0.85 NPC1 (0.52) HDAC6SMN1; SMN2MEN1LMNAMAPT
SCHEMBL8972535 0.85 DYRK1A (0.45) HDAC6AKR1B1SMN1; SMN2MEN1MAPT
SCHEMBL9443373 0.82 NPC1 (0.41) HDAC6SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL6911870 0.82 HDAC6 (0.54) HDAC6PPARAAKR1B1LOXL2SENP7
SCHEMBL9304897 0.81 NPC1 (0.54) PPARAAKR1B1SMN1; SMN2
SCHEMBL9306671 0.81 PPARA (0.46) HDAC6PPARASMN1; SMN2MEN1MAPT
SCHEMBL9305859 0.81 AKR1B1 (0.49) AKR1B1ALOX5
SCHEMBL9443212 0.81 ALDH1A1 (0.43) HDAC6AKR1B1ALOX5SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed