SCHEMBL9306671

SCHEMBL9306671

N#Cc1ccc2sc(C(CC(=O)O)C(O)=S)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.46
SLC22A12 Q96S37 3/20 0.38
DYRK1A Q13627 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.35
CTSA P10619 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIN1 Q13526 1/20 0.34
PKM P14618 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
F7 P08709 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
SCHEMBL9306663 0.90 PPARA (0.43) PPARASLC22A12DYRK1AMAPTMEN1
SCHEMBL9306659 0.82 PPARA (0.47) PPARASLC22A12DYRK1AMAPTPOLB
SCHEMBL8972535 0.81 DYRK1A (0.45) DYRK1AMAPTKDM4EGAAHDAC6
SCHEMBL8973369 0.81 HDAC6 (0.55) PPARAMAPTHDAC6MEN1KMT2A
SCHEMBL8972967 0.81 NPC1 (0.52) MAPTKDM4EGAAHDAC6POLB
SCHEMBL9443373 0.80 NPC1 (0.41) DYRK1AMAPTKDM4EHDAC6POLB
SCHEMBL9304897 0.79 NPC1 (0.54) PPARADYRK1ASMN1; SMN2PKM
SCHEMBL9443212 0.79 ALDH1A1 (0.43) MAPTKDM4EGAAL3MBTL1HDAC6
SCHEMBL9305859 0.79 AKR1B1 (0.49) DYRK1A
SCHEMBL30944811 0.78 PKM (0.52) POLBMEN1KMT2ASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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