SCHEMBL7597940

SCHEMBL7597940

NCCNc1nc(N)nc(N(CCN)CCN)n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CXCR4 P61073 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC29A1 Q99808 1/20 0.31
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1274425 0.83 HRH3 (0.37) ALDH1A1CA1CA2CA9SMN1; SMN2
SCHEMBL2534130 0.82 NPY1R (0.36) ALDH1A1CA1CA2CA9SMN1; SMN2
SCHEMBL10454781 0.82 CA1 (0.38) ALDH1A1CA1CA2CA9SMN1; SMN2
SCHEMBL7598929 0.81 HTR1A (0.36) SLC29A1
SCHEMBL9621722 0.81 HTR1A (0.36) SLC29A1
SCHEMBL1274458 0.81 HTR1A (0.36) SLC29A1
SCHEMBL9528787 0.79 CA1 (0.40) CA1CA2CA9CXCR4
SCHEMBL9528515 0.79 CA9 (0.43) CA1CA2CA9CXCR4
SCHEMBL23327153 0.78 SLC29A1 (0.33) ALDH1A1SMN1; SMN2SLC29A1
SCHEMBL1077004 0.78 SLC29A1 (0.46) ALDH1A1SMN1; SMN2SLC29A1GAACYP2C19

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
EP-1023398-B1 STABLE WATERBORNE POLYMER COMPOSITIONS CONTAINING POLY(ALKYLENEIMINES) EASTMAN CHEM CO (US) 2002-12-18 EP disclosed
EP-0240867-B1 PROCESS FOR THE PREPARATION OF AMINOALKYL- OR -ARYLMELAMINES BASF Aktiengesellschaft (DE) 1992-02-19 EP disclosed
EP-0240867-A1 Process for the preparation of aminoalkyl- or -arylmelamines BASF Aktiengesellschaft (DE) 1987-10-14 EP disclosed