SCHEMBL469846

SCHEMBL469846

NCCCN(CCCN)c1nc(N(CCCN)CCCN)nc(N(CCCN)CCCN)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
GBA1 P04062 2/20 0.32
NFKB1 P19838 1/20 0.32
CHRM2 P08172 1/20 0.31
SLC29A1 Q99808 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
DNM1 Q05193 1/20 0.30
LMNA P02545 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
SCHEMBL428397 0.89 MAPT (0.42) MAPTSMN1; SMN2SLC29A1DNM1TSHR
SCHEMBL469796 0.82 MAPT (0.38) MAPTSMN1; SMN2SLC29A1TSHR
SCHEMBL9430008 0.76
SCHEMBL10733763 0.74 HRH3 (0.47) HRH3CHRM2CA12CA1CA2
SCHEMBL5355585 0.72 MAPT (0.50) MAPTSMN1; SMN2SLC29A1LMNATSHR
SCHEMBL469800 0.72 MAPT (0.55) MAPTSMN1; SMN2SLC29A1LMNATSHR
SCHEMBL428295 0.72 MAPT (0.55) MAPTSMN1; SMN2SLC29A1LMNATSHR
SCHEMBL2535675 0.70 MAPT (0.48) MAPTSMN1; SMN2SLC29A1CA12CA1
SCHEMBL469795 0.69 TSHR (0.33) MAPTSMN1; SMN2LMNATSHRBLM
SCHEMBL21081373 0.69 MAPT (0.47) MAPTSMN1; SMN2SLC29A1DNM1LMNA

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
WO-2012033607-A1 METHODS OF REMOVING CARBON DIOXIDE AND SORBENTS FOR SAME BATTELLE ENERGY ALLIANCE, LLC (US) 2012-03-15 WO disclosed