SCHEMBL10051135

SCHEMBL10051135

NCCCN(CCCN)CCCN(CCCN(CCCN)CCCN)CCCN(CCCN)CCCN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.48
NFKB1 P19838 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
DNM1 Q05193 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
CHRM2 P08172 1/20 0.38

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
SCHEMBL13913105 1.00 LCK (0.48) LCKNFKB1CA12CA1CA2
SCHEMBL13748668 1.00 LCK (0.48) LCKNFKB1CA12CA1CA2
SCHEMBL713874 1.00 LCK (0.48) LCKNFKB1CA12CA1CA2
SCHEMBL17123444 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL15790833 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL2055292 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL3319406 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL2609752 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL3320230 0.96 LCK (0.46) LCKNFKB1CA12CA1CA2
SCHEMBL62173 0.96 NFKB1 (0.46) LCKNFKB1CA12CA1CA2

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