SCHEMBL28053121

SCHEMBL28053121

[CH2]C(NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(C)O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.51
▸ HIF1A Q16665 1/20 0.50
▸ EPAS1 Q99814 1/20 0.50
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49

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
SCHEMBL13654204 0.87 KMT2A (0.56) KMT2AHIF1AEPAS1
SCHEMBL13654205 0.87 — —
SCHEMBL399964 0.87 — —
SCHEMBL404694 0.87 — —
SCHEMBL401044 0.87 — —
SCHEMBL4530797 0.87 — —
SCHEMBL399963 0.87 — —
SCHEMBL400307 0.87 KMT2A (0.56) KMT2AHIF1AEPAS1
SCHEMBL13018959 0.87 KMT2A (0.56) KMT2AHIF1AEPAS1
SCHEMBL28053063 0.85 HIF1A (0.50) KMT2AHIF1AEPAS1

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
CN-105669750-A Novel zinc ion chelating agent, preparation thereof and application thereof to Gram-negative bacterium infection resistance 中国医学科学院医药生物技术研究所 2016-06-15 — — CN disclosed
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