SCHEMBL28236292

SCHEMBL28236292

CCC(O)(NC(=N)N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 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
SCHEMBL17439190 0.76 PKM (0.35) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL5275977 0.75 MEN1 (0.35) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL28788465 0.75 SMN1; SMN2 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL28109569 0.72 EPHX1 (0.32) MEN1ALDH1A1KMT2A
SCHEMBL28072399 0.70 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7528557 0.70
SCHEMBL23586671 0.69 KDM4E (0.33) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL29382780 0.69 CTSK (0.41) MEN1CYP1A2KMT2A
SCHEMBL10489514 0.69 TGFBR1 (0.36) ALDH1A1
SCHEMBL10489512 0.69 ALDH1A1 (0.41) MEN1ALDH1A1KMT2A

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-108367043-A The conjugate of quaternized tubulysin compound 西雅图基因公司 2018-08-03 CN disclosed