SCHEMBL8972091

SCHEMBL8972091

CC(C)c1cccc2sc(C(CC(=O)O)C(O)=S)nc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
PKM P14618 1/20 0.35
CTSA P10619 1/20 0.33
GAA P10253 2/20 0.32
SLC9A1 P19634 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8972082 0.90 GABRA1 (0.31) POLBMAPTRECQL
SCHEMBL8972781 0.82 GAA (0.45) MAPTPKMGAASMN1; SMN2KMT2A
SCHEMBL9305758 0.82 PKM (0.34) MAPTPKMCTSAGAASMN1; SMN2
SCHEMBL8972078 0.81 POLB (0.34) POLBMAPTRECQLPKMSLC9A1
SCHEMBL9307552 0.81 LIPG (0.40) PKMCTSASMN1; SMN2KMT2A
SCHEMBL30944811 0.77 PKM (0.52) POLBPKMSMN1; SMN2KMT2A
SCHEMBL402777 0.77 PKM (0.52) POLBPKMSMN1; SMN2KMT2A
Methylamine SCHEMBL10867358 0.76 PKM (0.52) POLBPKMSMN1; SMN2KMT2A
SCHEMBL9443111 0.76 GAA (0.36) POLBMAPTPKMGAASMN1; SMN2
Ammonia Solution, Strong SCHEMBL7032987 0.76 PKM (0.51) POLBPKMSMN1; SMN2KMT2A

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