SCHEMBL9043102

SCHEMBL9043102

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 5/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
XBP1 P17861 1/20 0.38
NTSR1 P30989 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.37
ALOX12 P18054 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL9044928 0.86 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTNPSR1MAPK1
SCHEMBL9045354 0.80 MEN1 (0.40) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL9042986 0.78 HTT (0.44) ALDH1A1L3MBTL1HTTMAPTNPSR1
SCHEMBL9043364 0.72 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL9043151 0.68 HTT (0.34) ALDH1A1L3MBTL1HTTMAPTNPSR1
SCHEMBL9694344 0.67 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTTMAPTNPSR1
SCHEMBL9044331 0.67 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTTMAPTNPSR1
SCHEMBL9322422 0.67 HTT (0.51) ALDH1A1HTTMAPTNPSR1HPGD
SCHEMBL9043138 0.67 FFAR1 (0.38) ALDH1A1L3MBTL1HTTMAPTMEN1
SCHEMBL10668838 0.67 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTTMAPTNPSR1

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