SCHEMBL6967216

SCHEMBL6967216

CCNC(=S)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 9/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 3/20 0.35
MGLL Q99685 2/20 0.35
ADAM17 P78536 1/20 0.35
ALPL P05186 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4A O75164 1/20 0.33

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
SCHEMBL6965037 0.88 POLB (0.44) POLBALDH1A1MAPTHPGDHSD17B10
SCHEMBL10973768 0.78 POLB (0.67) POLBALDH1A1MAPTHPGDHSD17B10
SCHEMBL6967633 0.77 POLB (0.42) POLBALDH1A1MAPTHPGDHSD17B10
SCHEMBL6971685 0.76 GAA (0.39) HPGDGAA
SCHEMBL13434933 0.75 GAA (0.57) POLBALDH1A1MAPTHPGDHSD17B10
SCHEMBL162548 0.75 CA9 (0.46) ALDH1A1MAPTHPGDGAACA1
SCHEMBL18281195 0.75 ALDH1A1 (0.53) POLBALDH1A1MAPTHPGDHSD17B10
SCHEMBL7985505 0.75
SCHEMBL23360756 0.73 MAPT (0.40) POLBALDH1A1MAPTHPGDGAA
SCHEMBL7941329 0.72 ALDH1A1 (0.53) POLBALDH1A1MAPTHPGDCYP3A4

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed