SCHEMBL24779309

SCHEMBL24779309

NCCNCCNC(=O)CC(N)C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA5B Q9Y2D0 4/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA6 P23280 3/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA14 Q9ULX7 3/20 0.39
▸ CA3 P07451 3/20 0.39
▸ CA5A P35218 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL20431156 0.79 ALDH1A1 (0.31) ALDH1A1ANPEP
SCHEMBL30050875 0.79 OTC (0.41) CA5BCA12CA6CA7CA9
SCHEMBL16151107 0.79 CA5B (0.39) CA5BCA12CA6CA7CA9
SCHEMBL17449733 0.79 ALDH1A1 (0.36) TP53ALDH1A1MEN1KMT2ACASP2
SCHEMBL14003709 0.76 CA5B (0.55) CA5BCA12CA6CA7CA9
SCHEMBL17932834 0.76 CASP2 (0.53) CASP2DPP7
SCHEMBL17932835 0.76 CASP2 (0.53) CASP2DPP7
SCHEMBL17813091 0.73 OTC (0.41) TP53ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21440077 0.73 MCL1 (0.38) KMT2ASMN1; SMN2
SCHEMBL19524588 0.72 CA5B (0.50) CA5BCA12CA6CA7CA9

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-2022261561-A1 BIODEGRADABLE POLYMER COMPRISING SIDE CHAINS WITH POLYAMINE AND POLYALKYLENE OXIDE GROUPS GENEDIT INC. (US) 2022-12-15 — — WO disclosed
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