SCHEMBL9306663

SCHEMBL9306663

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.43
DYRK1A Q13627 1/20 0.33
APP P05067 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIN1 Q13526 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SLC22A12 Q96S37 2/20 0.30
ACSS2 Q9NR19 1/20 0.30
LIPC P11150 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9306671 0.90 PPARA (0.46) PPARADYRK1AMAPTMEN1KMT2A
SCHEMBL8973359 0.81 HDAC6 (0.45) PPARAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8972712 0.81 DYRK1A (0.41) DYRK1AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9306659 0.79 PPARA (0.47) PPARADYRK1AMAPTMEN1KMT2A
SCHEMBL8972942 0.79 NPC1 (0.52) DYRK1AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9305849 0.78 DYRK1A (0.43) DYRK1AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9304883 0.78 NPC1 (0.50) PPARADYRK1ASMN1; SMN2HPGDALDH1A1
SCHEMBL9443203 0.78 APP (0.36) APPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL402776 0.77 HPGD (0.53) MAPTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9443360 0.77 NPC1 (0.41) DYRK1AKMT2ASMN1; SMN2HPGDALDH1A1

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