SCHEMBL11813655

SCHEMBL11813655

CCN(CC)CCCNCCC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.62
ALDH1A1 P00352 6/20 0.44
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.36
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALOX15 P16050 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 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
Bicarbonate SCHEMBL30077237 0.82 PAOX (0.67) PAOXALDH1A1GAAKDM4EKMT2A
SCHEMBL177754 0.82 NPSR1 (0.47) PAOXALDH1A1GAANPSR1KDM4E
SCHEMBL7200775 0.81 PAOX (0.59) PAOXALDH1A1KDM4EKMT2ACYP2C19
SCHEMBL6668912 0.80 PAOX (0.48) PAOXALDH1A1GAANPSR1KDM4E
SCHEMBL759902 0.79 PAOX (0.61) PAOXALDH1A1GAAKDM4EKMT2A
SCHEMBL1960042 0.78 TSHR (0.46) PAOXALDH1A1GAAKDM4EKMT2A
SCHEMBL28431778 0.78 PAOX (0.52) PAOXALDH1A1NPSR1KDM4EKMT2A
SCHEMBL30773553 0.78 PAOX (0.52) PAOXALDH1A1NPSR1KDM4EKMT2A
SCHEMBL29564926 0.78 PAOX (0.52) PAOXALDH1A1NPSR1KDM4EKMT2A
SCHEMBL4312640 0.78 PAOX (0.52) PAOXALDH1A1NPSR1KDM4EKMT2A

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-3970647-A Bis-(triazinylamino)stilbene compounds SANDOZ LTD. (CH) 1976-07-20 US disclosed