SCHEMBL8972082

SCHEMBL8972082

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
LMNA P02545 2/20 0.30
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
HTR2B P41595 1/20 0.30
GABRA2 P47869 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
SCHEMBL8972091 0.90 POLB (0.35) POLBMAPTRECQL
SCHEMBL8972772 0.82 SMN1; SMN2 (0.44) LMNAHPGDTSHRHTR2CPOLB
SCHEMBL9305755 0.81 HPGD (0.31) HPGD
SCHEMBL8972078 0.79 POLB (0.34) CYP1A2HPGDHIF1APOLBMAPT
SCHEMBL21462955 0.77 TLR8 (0.40) GABRA1GABRG2GABRB3LOXL2LMNA
SCHEMBL402776 0.75 HPGD (0.53) LOXL2LMNACYP1A2HPGDTSHR
SCHEMBL9443099 0.75 ADORA1 (0.36) HPGDTSHR
Methylamine SCHEMBL9443278 0.75 LOXL2 (0.51) LOXL2LMNACYP1A2HPGDTSHR
Ammonia Solution, Strong SCHEMBL7032984 0.74 HPGD (0.51) LOXL2LMNACYP1A2HPGDTSHR
Dimethylamine SCHEMBL10597488 0.74 HPGD (0.48) LOXL2LMNACYP1A2CYP3A4HPGD

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