SCHEMBL9219600

SCHEMBL9219600

N#Cc1nc(Br)n(Cc2ccccc2)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPT P10636 1/20 0.40
AR P10275 1/20 0.37
TNF P01375 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP19A1 P11511 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CFTR P13569 1/20 0.36
LMNA P02545 1/20 0.36
PDE6D O43924 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 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
SCHEMBL2567869 0.83 ADORA2A (0.48) ADORA2AADORA1MAPTARTNF
SCHEMBL13523411 0.83 ADORA2A (0.51) ADORA2AADORA1MAPTALDH1A1MEN1
SCHEMBL2572149 0.83 ADORA2A (0.36) ADORA2AADORA1MAPTTNFALDH1A1
SCHEMBL14839377 0.81 PNP (0.42) ADORA2AADORA1ARTNFCTSK
SCHEMBL15432549 0.70 CYP11B1 (0.40) ADORA2AMAPTALDH1A1HIF1AMEN1
SCHEMBL4838632 0.69 ADORA2A (0.49) ADORA2AADORA1MAPTTNFALDH1A1
SCHEMBL9209856 0.69 CSNK2A2 (0.44) ADORA2AADORA1MAPTNPSR1L3MBTL1
SCHEMBL19924941 0.68 ADORA2A (0.48) ADORA2AADORA1MAPTTNFALDH1A1
SCHEMBL14944655 0.68 ADORA2A (0.61) ADORA2AADORA1ALDH1A1KMT2AHPGD
SCHEMBL15554598 0.68 KDM4E (0.50) ADORA2AADORA1MAPTTNFALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
CN-1025582-C Azole pesticides SCHERING AGROCHEMICALS LTD (GB) 1994-08-10 CN disclosed
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed
CN-1049341-A AZOLE PESTICIDES SCHERING AGROCHEMICALS LTD (GB) 1991-02-20 CN disclosed
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed