SCHEMBL6249358

SCHEMBL6249358

NCCC(N)CNCCO

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ANPEP P15144 1/20 0.36
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL30758045 0.91 MEN1 (0.33) MEN1NOS3NOS1KMT2ATDP1
SCHEMBL8845802 0.85 TDP1 (0.38) MEN1NOS3NOS1KMT2ATDP1
SCHEMBL8044785 0.80 TDP1 (0.46) MEN1NOS3NOS1KMT2ATDP1
SCHEMBL14633823 0.80 ANPEP (0.38) MEN1NOS3NOS1KMT2ATDP1
SCHEMBL9147040 0.80 MEN1 (0.33) MEN1NOS3NOS1KMT2ATDP1
SCHEMBL3082550 0.79 CA12 (0.52) MEN1NOS3NOS1KMT2ATDP1
SCHEMBL17144887 0.77 TSHR (0.36) ANPEPALDH1A1TSHR
SCHEMBL16697214 0.75 CA12 (0.47) MEN1NOS3NOS1KMT2ATDP1
SCHEMBL5811235 0.75 ENPEP (0.48) MEN1KMT2AANPEPTSHR
SCHEMBL4534649 0.75 SLC1A2 (0.34) TSHR

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
WO-2005037507-A1 METHODS FOR PRODUCING AND USING A CU(1)-BASED WOOD PRESERVATIVE PHIBRO-TECH, INC. (US) 2005-04-28 WO claimed
WO-2005037507-A1 METHODS FOR PRODUCING AND USING A CU(1)-BASED WOOD PRESERVATIVE PHIBRO-TECH, INC. (US) 2005-04-28 WO disclosed