SCHEMBL28368941

SCHEMBL28368941

Nc1nc(N)nc(N)n1.O=P(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA1 P30542 2/20 0.45
POLB P06746 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
KCNN4 O15554 2/20 0.38
KCNA5 P22460 2/20 0.38
DCPS Q96C86 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CFTR P13569 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL95882 0.83 CA2 (0.52) CA2CA4CA5AKCNN4KCNA5
SCHEMBL28186178 0.81 CA2 (0.50) CA2CA4CA5AKCNN4KCNA5
SCHEMBL3449678 0.81 CA2 (0.50) CA2CA4CA5AKCNN4KCNA5
SCHEMBL28182545 0.79 CA2 (0.44) CA2CA4CA5AKCNN4KCNA5
Phenylphosphonic Acid SCHEMBL819526 0.78 CA2 (0.70) ADORA2AADORA1POLBADORA3ADORA2B
Phenylphosphonic Acid SCHEMBL23086 0.78 CA2 (0.70) ADORA2AADORA1POLBADORA3ADORA2B
SCHEMBL29662830 0.78 CA2 (0.50) ADORA2AADORA1POLBADORA3ADORA2B
Ethylenediamine SCHEMBL28102242 0.77 CA2 (0.44) CA2CA4CA5ASMN1; SMN2CFTR
Methylene Chloride SCHEMBL28537220 0.77 CFTR (0.46) CA2CA4CA5AKCNN4KCNA5
Pyridine SCHEMBL28428394 0.76 KCNA5 (0.52) CA2CA4CA5AKCNN4KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047636-B Graphene modified ABS resin and preparation method thereof 深圳市通产丽星股份有限公司 2020-01-24 CN claimed
CN-108047636-B Graphene modified ABS resin and preparation method thereof 深圳市通产丽星股份有限公司 2020-01-24 CN disclosed