SCHEMBL27740201

SCHEMBL27740201

NCCNCCN.O=C(O)C(Cl)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.48
FOLH1 Q04609 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 2/20 0.40
PPARA Q07869 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39

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
SCHEMBL809052 0.87 SLC1A1 (0.55) SLC1A1FOLH1SLC1A3SLC1A2MEN1
SCHEMBL809237 0.85 SLC1A1 (0.54) SLC1A1FOLH1SLC1A3SLC1A2MEN1
SCHEMBL809091 0.85 SLC1A1 (0.54) SLC1A1FOLH1SLC1A3SLC1A2MEN1
Hydrochloric Acid SCHEMBL5551687 0.85 SLC1A1 (0.54) SLC1A1FOLH1SLC1A3SLC1A2MEN1
SCHEMBL2026077 0.81 FOLH1 (0.50) SLC1A1FOLH1SLC1A3SLC1A2MEN1
SCHEMBL2026078 0.81 FOLH1 (0.50) SLC1A1FOLH1SLC1A3SLC1A2MEN1
SCHEMBL6446640 0.80 FOLH1 (0.49) SLC1A1FOLH1SLC1A3SLC1A2MEN1
SCHEMBL6446635 0.80 FOLH1 (0.49) SLC1A1FOLH1SLC1A3SLC1A2MEN1
SCHEMBL9450975 0.77 FOLH1 (0.54) SLC1A1FOLH1SLC1A3SLC1A2MEN1
SCHEMBL5347315 0.77 FOLH1 (0.54) SLC1A1FOLH1SLC1A3SLC1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101263108-B Process for the preparation of contrast agents BRACCO IMAGING S.P.A. (IT) 2011-12-21 CN disclosed
CN-101263108-A Process for the preparation of contrast agents BRACCO IMAGING SPA (IT) 2008-09-10 CN disclosed