SCHEMBL469796

SCHEMBL469796

NCCN(CCN)c1nc(N(CCN)CCN)nc(N(CCN)CCN)n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC29A1 Q99808 2/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL428295 0.87 MAPT (0.55) MAPTSMN1; SMN2SLC29A1TSHRTDP1
SCHEMBL469846 0.82 MAPT (0.35) MAPTSMN1; SMN2SLC29A1TSHR
SCHEMBL469795 0.73 TSHR (0.33) MAPTSMN1; SMN2TSHRTDP1
SCHEMBL428397 0.73 MAPT (0.42) MAPTSMN1; SMN2SLC29A1TSHR
SCHEMBL21059440 0.71 HSP90AA1 (0.36)
SCHEMBL1032941 0.66 SLC29A1 (0.53) MAPTSMN1; SMN2SLC29A1TSHRTDP1
SCHEMBL4138210 0.66 LMNA (0.52) SMN1; SMN2
SCHEMBL5355585 0.65 MAPT (0.50) MAPTSMN1; SMN2SLC29A1TSHRTDP1
SCHEMBL18757574 0.64
SCHEMBL2535675 0.63 MAPT (0.48) MAPTSMN1; SMN2SLC29A1TSHRTDP1

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 5 patents. 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
EP-0768898-B1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AG (DE) 2003-04-09 EP disclosed
US-6248306-B1 MEDICAL DIAGNOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-19 US disclosed
EP-0768898-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-23 EP disclosed
WO-1996001655-A1 CASCADE-POLYMER COMPLEXES AND METHODS OF PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-25 WO disclosed