SCHEMBL9044002

SCHEMBL9044002

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
FFAR1 O14842 4/20 0.34
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
BLM P54132 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
HTR6 P50406 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9045620 0.86 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL9044711 0.85 ALDH1A1 (0.34) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9046268 0.85 MEN1 (0.36) POLBFFAR1ALDH1A1L3MBTL1BLM
SCHEMBL9045189 0.80 ALDH1A1 (0.33) POLBALDH1A1L3MBTL1MAPTHPGD
SCHEMBL9694466 0.76 FFAR1 (0.39) POLBFFAR1ALDH1A1L3MBTL1BLM
SCHEMBL9043196 0.76 FFAR1 (0.39) POLBFFAR1ALDH1A1L3MBTL1BLM
SCHEMBL9044724 0.75 FFAR1 (0.39) POLBFFAR1ALDH1A1L3MBTL1BLM
SCHEMBL9874096 0.74 MEN1 (0.34) POLBFFAR1ALDH1A1L3MBTL1MEN1
SCHEMBL9043138 0.74 FFAR1 (0.38) POLBFFAR1ALDH1A1L3MBTL1BLM
SCHEMBL9044928 0.72 ALDH1A1 (0.44) POLBFFAR1ALDH1A1L3MBTL1BLM

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