SCHEMBL9044331

SCHEMBL9044331

Cc1cc(C)nc(N(N)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
NTSR1 P30989 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCF1 P14598 1/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL7511419 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL9043112 0.82 ADORA2A (0.37) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL9043196 0.81 FFAR1 (0.39) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL9694344 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL9043709 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL9641892 0.73 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL9042986 0.73 HTT (0.44) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL20194845 0.73 NCF1 (0.39) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL9763213 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL9762433 0.72 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTHTTMEN1

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