SCHEMBL9042986

SCHEMBL9042986

CNN(c1ccccc1)c1nc(C)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9043151 0.83 HTT (0.34) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9043138 0.82 FFAR1 (0.38) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9043102 0.78 ALDH1A1 (0.40) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9045354 0.77 MEN1 (0.40) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9699580 0.75 KMT2A (0.52) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9044331 0.73 ALDH1A1 (0.44) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9694344 0.73 ALDH1A1 (0.44) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL10668838 0.73 ALDH1A1 (0.44) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9043709 0.72 ALDH1A1 (0.42) HTTMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL9762433 0.69 ALDH1A1 (0.55) HTTMAPTALDH1A1L3MBTL1KDM4E

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