SCHEMBL9043151

SCHEMBL9043151

CNN(c1ccccc1)c1nc(C)cc(C2CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
IGF1R P08069 1/20 0.31
NPC1 O15118 1/20 0.30
NR2F2 P24468 1/20 0.30

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
SCHEMBL9042986 0.83 HTT (0.44) HTTMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL9043364 0.83 SMN1; SMN2 (0.34) HTTMAPTPOLBADORA2AADORA2B
SCHEMBL8987728 0.80 POLB (0.38) HTTMAPTPOLBADORA2AADORA2B
SCHEMBL9043112 0.80 ADORA2A (0.37) HTTMAPTPOLBADORA2AADORA2B
SCHEMBL27311061 0.80 POLB (0.35) HTTMAPTPOLBADORA2AADORA2B
SCHEMBL9043406 0.79 POLB (0.35) HTTMAPTPOLBADORA2AADORA2B
SCHEMBL8987697 0.76 POLB (0.37) HTTMAPTPOLBSMN1; SMN2GAA
SCHEMBL9044597 0.76 HCRTR1 (0.35) HTTMAPTPOLBADORA2AADORA2B
SCHEMBL9044240 0.75 HCRTR1 (0.36) HTTMAPTPOLBADORA2AADORA2B
SCHEMBL8987503 0.75 POLB (0.40) HTTMAPTPOLBGAAALDH1A1

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