SCHEMBL28226898

SCHEMBL28226898

NC(=O)NCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.64
▸ EPHX2 P34913 1/20 0.52
▸ FABP7 O15540 2/20 0.45
▸ FABP5 Q01469 2/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CASP3 P42574 2/20 0.44

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
SCHEMBL7113140 0.87 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL730784 0.87 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL29447213 0.87 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL30241521 0.87 KMT2A (0.59) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL6475569 0.86 KMT2A (0.62) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL608621 0.86 KMT2A (0.73) KMT2AEPHX2FABP7FABP5CA1
Hydrochloric Acid SCHEMBL966018 0.86 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CA1
Bromide SCHEMBL2216954 0.86 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL18376140 0.86 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL4740795 0.86 KMT2A (0.64) KMT2AEPHX2FABP7FABP5CASP3

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-108250159-A Carbamide compounds, preparation method and its application 深圳微芯生物科技股份有限公司 2018-07-06 — — CN disclosed
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