SCHEMBL8945303

SCHEMBL8945303

CSc1nc(O)c2sccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.61
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
GAA P10253 2/20 0.52
CYP2C9 P11712 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.35
CYP2D6 P10635 1/20 0.35
AXL P30530 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL9431669 0.81 CYP1A2 (0.45) HTTMAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL5313545 0.80 HTT (0.63) HTTMAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL11988229 0.76 HTT (0.58) HTTMAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL29893499 0.75 AXL (0.39) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL55302 0.75 AXL (0.39) HTTMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL8945427 0.75 HTT (0.74) HTTMAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL14103786 0.74 MTOR (0.40) HTTMAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL8945519 0.72 AXL (0.37) HTTMAPTMAPK1AXLMKNK1
SCHEMBL13236422 0.72 ADORA2A (0.53) HTTMAPTL3MBTL1RXFP1SMN1; SMN2
SCHEMBL17175794 0.71 L3MBTL1 (0.55) HTTMAPTL3MBTL1CYP1A2CYP2C19

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-5494887-A Ring annulated 5-alkoxy-n-aryl[1,2,4]triazolo[1,5-C]-pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1996-02-27 US disclosed