Hexanal

Hexanal

SCHEMBL27324985

CCCCCC=O.CCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.61
ADORA2A P29274 3/20 0.61
PDE4A P27815 2/20 0.61
PDE4B Q07343 2/20 0.61
PDE4C Q08493 2/20 0.61
PDE4D Q08499 2/20 0.61
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
MAPK1 P28482 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL15453218 0.88 ADORA2B (0.72) ADORA2BADORA2ALMNAMAPTSMN1; SMN2
SCHEMBL516014 0.87 ADORA2B (0.72) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL10354149 0.85 ADORA2B (0.68) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL11610641 0.85 PDE4A (0.58) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL31482443 0.83 ADORA2B (0.81) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4384952 0.83 ADORA2B (0.78) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11702145 0.82 ADORA2B (0.78) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11701929 0.82 ADORA2B (0.78) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11699832 0.82 ADORA2B (0.78) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL10394216 0.82 ADORA2B (0.78) ADORA2BADORA2APDE4APDE4BPDE4C

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
CN-1032939-A PROCESS FOR PRODUCING CHAMICAL PHARMACENTICAL CHINOIN GYOGYSZER ES VEGYESZET (HU) 1989-05-17 CN disclosed