SCHEMBL6714819

SCHEMBL6714819

NCCCCC(N)C(N)CCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.44
NFKB1 P19838 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
DNM1 Q05193 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
RNPEP Q9H4A4 1/20 0.37
CPB2 Q96IY4 2/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL6857027 0.97 DNM1 (0.47) GSRNFKB1CA12CA1CA2
SCHEMBL1221851 0.94 NFKB1 (0.50) GSRNFKB1CA12CA1CA2
SCHEMBL2162581 0.90 NFKB1 (0.38) GSRNFKB1CA12CA1CA2
SCHEMBL11212697 0.90 DNM1 (0.53) GSRNFKB1CA12CA1CA2
SCHEMBL16398441 0.90 DNM1 (0.53) GSRNFKB1CA12CA1CA2
SCHEMBL23034836 0.90 DNM1 (0.53) GSRNFKB1CA12CA1CA2
SCHEMBL16402420 0.90 DNM1 (0.53) GSRNFKB1CA12CA1CA2
SCHEMBL11207922 0.90 DNM1 (0.53) GSRNFKB1CA12CA1CA2
SCHEMBL6722184 0.90 DNM1 (0.53) GSRNFKB1CA12CA1CA2
SCHEMBL11214909 0.90 DNM1 (0.53) GSRNFKB1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017097828-A1 BACTERIAL CELLS WITH IMPROVED TOLERANCE TO POLYAMINES DANMARKS TEKNISKE UNIVERSITET (DK) 2017-06-15 WO claimed
WO-2017097828-A1 BACTERIAL CELLS WITH IMPROVED TOLERANCE TO POLYAMINES DANMARKS TEKNISKE UNIVERSITET (DK) 2017-06-15 WO disclosed
US-20040262808-A1 Golf ball layers formed of polyurethane-based and polyurea-based compositions incorporating block copolymers JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-12-30 US disclosed
US-20040220356-A1 Compositions for golf equipment JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2004-11-04 US disclosed