SCHEMBL9044928

SCHEMBL9044928

CCCNN(c1ccccc1)c1nc(C)cc(COC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
BLM P54132 1/20 0.44
MAPT P10636 4/20 0.39
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
FFAR1 O14842 4/20 0.35
POLB P06746 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
RECQL P46063 1/20 0.34
NCF1 P14598 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTR6 P50406 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL9043102 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL9043138 0.85 FFAR1 (0.38) ALDH1A1L3MBTL1BLMMAPTMEN1
SCHEMBL9043196 0.77 FFAR1 (0.39) ALDH1A1L3MBTL1BLMMAPTMEN1
SCHEMBL9694466 0.77 FFAR1 (0.39) ALDH1A1L3MBTL1BLMMAPTMEN1
SCHEMBL9044724 0.76 FFAR1 (0.39) ALDH1A1L3MBTL1BLMMAPTMEN1
SCHEMBL9044002 0.72 POLB (0.36) ALDH1A1L3MBTL1BLMMAPTMEN1
SCHEMBL9045354 0.71 MEN1 (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL9043694 0.70 FFAR1 (0.38) ALDH1A1MEN1KMT2AFFAR1SMN1; SMN2
SCHEMBL9046268 0.69 MEN1 (0.36) ALDH1A1L3MBTL1BLMMAPTMEN1
SCHEMBL9505703 0.68 TAAR1 (0.54) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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 5 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
US-5175293-A Substituted 2-aminopyrimidine derivatives CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed
EP-0358609-A2 Parasiticide compounds CIBA-GEIGY AG (CH) 1990-03-14 EP disclosed