SCHEMBL10051136

SCHEMBL10051136

N#CCCN(CCC#N)CCCN(CCCN(CCC#N)CCC#N)CCCN(CCC#N)CCC#N

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.76
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.36
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP3A4 P08684 1/20 0.33
DRD3 P35462 1/20 0.32
MAPK1 P28482 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
SCHEMBL714869 1.00 LCK (0.76) LCKALDH1A1TDP1TSHRLOX
SCHEMBL13844443 0.97 LCK (0.73) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591992 0.94 LCK (0.70) LCKALDH1A1TDP1TSHRLOX
SCHEMBL2425755 0.94 LCK (0.68) LCKALDH1A1TDP1TSHRLOX
SCHEMBL714217 0.91 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL714027 0.91 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL17038665 0.91 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591979 0.91 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591987 0.91 LCK (0.65) LCKALDH1A1TDP1TSHRLOX
SCHEMBL15591981 0.91 LCK (0.65) LCKALDH1A1TDP1TSHRLOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028855-A1 SHALE HYDRATION INHIBITION AGENT(S) AND METHOD OF USE SHRIEVE CHEMICAL PRODUCTS (US) 2012-02-02 US disclosed
US-8026198-B2 Shale hydration inhibition agent(s) and method of use SHRIEVE CHEMICAL PRODUCTS, INC. 2011-09-27 US disclosed
US-20090247429-A1 SHALE HYDRATION INHIBITION AGENT(S) AND METHOD OF USE SHRIEVE CHEMICAL PRODUCTS, INC. (US) 2009-10-01 US disclosed