SCHEMBL11511399

SCHEMBL11511399

CCCCCCCCSc1nnc(-c2ccncc2)n1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
RXFP1 Q9HBX9 1/20 0.52
HDAC2 Q92769 6/20 0.51
PTK2 Q05397 4/20 0.51
HDAC1 Q13547 4/20 0.50
HDAC3 O15379 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL22019056 0.85 GAA (0.60) GAARXFP1CTDSP1TDP1L3MBTL1
SCHEMBL1545115 0.78 GAA (0.54) GAARXFP1CTDSP1TDP1L3MBTL1
SCHEMBL11510724 0.75 GAA (0.40) GAARXFP1TSHRCYP3A4KMT2A
SCHEMBL11510033 0.74 HDAC2 (0.67) GAAHDAC2PTK2HDAC1HDAC3
SCHEMBL11511237 0.74 GAA (0.43) GAAHDAC2PTK2HDAC1TSHR
SCHEMBL15983686 0.74 GAA (0.59) GAARXFP1CTDSP1TDP1L3MBTL1
SCHEMBL1544760 0.73 GAA (0.45) GAARXFP1CTDSP1TDP1L3MBTL1
SCHEMBL11510747 0.72 ALDH1A1 (0.47) GAATDP1TSHRKMT2AHTT
SCHEMBL1545084 0.72 GAA (0.46) GAARXFP1CTDSP1TDP1L3MBTL1
SCHEMBL15986408 0.71 RXFP1 (0.79) GAARXFP1TDP1L3MBTL1TSHR

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-4178253-A 1,2,4-TRIAZOLE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1979-12-11 US disclosed