SCHEMBL8167697

SCHEMBL8167697

Nc1nc(N)nc(N)n1.c1cnnnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.40
ADORA1 P30542 2/20 0.40
HSP90AA1 P07900 2/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
CASP1 P29466 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
DCPS Q96C86 1/20 0.32
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
Benzene SCHEMBL19253562 0.75 ADORA2A (0.58) ADORA2AADORA1HSP90AA1POLBADORA3
Hydrazine SCHEMBL2355118 0.75
Hydrazine SCHEMBL1293206 0.75
SCHEMBL8166671 0.75
SCHEMBL13282 0.75
Methylamine SCHEMBL14815912 0.72
SCHEMBL25412608 0.71
Methane SCHEMBL3677630 0.71
Water SCHEMBL6727001 0.71
SCHEMBL5163980 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156834-A Polyacetal resin composition ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-12-05 US disclosed