SCHEMBL27980140

SCHEMBL27980140

O=C(NCc1c(O)cccc1O)NC1c2ccccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 16/20 1.00
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL29273709 0.77 MAPT (0.65) PPIAMAPTKMT2A
SCHEMBL13480594 0.76 PPIA (0.61) PPIAMAPTKMT2A
SCHEMBL27980329 0.75 PPIA (1.00) PPIAMAPTKMT2A
SCHEMBL27971369 0.75 PPIA (1.00) PPIA
SCHEMBL8670897 0.74 PPIA (0.58) PPIAMAPTKMT2A
SCHEMBL22873283 0.71 KMT2A (0.61) PPIAMAPTKMT2A
SCHEMBL16593178 0.71 KMT2A (0.56) PPIAMAPTKMT2A
SCHEMBL27980205 0.70 PPIA (0.76) PPIAMAPT
SCHEMBL16593169 0.70 PPIA (0.53) PPIAMAPTKMT2A
SCHEMBL27980471 0.69 PPIA (0.65) PPIAMAPTKMT2A

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-103992245-A Substituted urea compound and use thereof UNIV EAST CHINA SCIENCE & TECH 2014-08-20 — — CN disclosed
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