SCHEMBL9045189

SCHEMBL9045189

CCC=NN(c1ccccc1)c1nc(C)cc(C2CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 4/20 0.32
HPGD P15428 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
MAPT P10636 3/20 0.31
POLB P06746 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL9043647 0.91 MAPT (0.32) ALDH1A1L3MBTL1HTTHPGDHCRTR1
SCHEMBL9045620 0.87 ALDH1A1 (0.42) ALDH1A1L3MBTL1HTTHPGDMAPT
SCHEMBL9044517 0.84 ADORA2A (0.30) ALDH1A1L3MBTL1POLBADORA2AADORA2B
SCHEMBL9044500 0.83 ADORA2A (0.30) HTTMAPTADORA2AADORA2B
SCHEMBL9044711 0.81 ALDH1A1 (0.34) ALDH1A1L3MBTL1HTTMAPTPOLB
SCHEMBL9044002 0.80 POLB (0.36) ALDH1A1L3MBTL1HPGDMAPTPOLB
SCHEMBL9044597 0.76 HCRTR1 (0.35) ALDH1A1L3MBTL1HTTHPGDHCRTR1
SCHEMBL9044240 0.75 HCRTR1 (0.36) ALDH1A1L3MBTL1HTTHPGDHCRTR1
SCHEMBL8987728 0.75 POLB (0.38) ALDH1A1L3MBTL1HTTHPGDHCRTR1
SCHEMBL9043112 0.75 ADORA2A (0.37) ALDH1A1L3MBTL1HTTHPGDMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358609-B1 Parasiticide compounds CIBA GEIGY AG (CH) 1996-07-24 EP claimed
EP-0358609-A2 Parasiticide compounds CIBA-GEIGY AG (CH) 1990-03-14 EP claimed
EP-0358609-B1 Parasiticide compounds CIBA GEIGY AG (CH) 1996-07-24 EP disclosed
EP-0358609-A2 Parasiticide compounds CIBA-GEIGY AG (CH) 1990-03-14 EP disclosed