SCHEMBL9306057

SCHEMBL9306057

CCCCc1cc2nc(S)[nH]c2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
HCAR2 Q8TDS4 4/20 0.33
FFAR3 O14843 2/20 0.33
TLR8 Q9NR97 1/20 0.33
HCAR3 P49019 1/20 0.33
CACNA1G O43497 2/20 0.33
CACNA1H O95180 1/20 0.33
AR P10275 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
SCHEMBL9306048 0.94 GAA (0.43) GAAHTTGRIN2DGRIN3BGRIN1
SCHEMBL9305399 0.82 GAA (0.43) GAAHTTGRIN2DGRIN3BGRIN1
SCHEMBL9305390 0.77 GAA (0.43) GAAHTTGRIN2DGRIN3BGRIN1
SCHEMBL15330306 0.75 HPGD (0.47) GAAHTTPRKAG1PRKAA2PRKAB1
SCHEMBL2105304 0.75 GAA (0.53) GAAHTTGRIN2DGRIN3BGRIN1
SCHEMBL8083834 0.73 TUBB4A (0.43) TLR8LMNATUBB4ACYP1A2TUBB
SCHEMBL8083831 0.73 TUBB4A (0.55) LMNATUBB4ACYP1A2TUBBTUBA3C
SCHEMBL7559296 0.72 GAA (0.70) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL8359245 0.71 CTRC (0.44) GAAHTTGRIN2DGRIN3BGRIN1
SCHEMBL15330308 0.70 HPGD (0.48) GAAHTTPRKAG1PRKAA2PRKAB1

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 1 patent. 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