SCHEMBL27980471

SCHEMBL27980471

O=C(NCc1ccccc1OCc1ccccc1)NC1c2ccccc2-c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 4/20 0.65
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TRPV6 Q9H1D0 1/20 0.46
▸ PTGER1 P34995 3/20 0.46
▸ PTGER4 P35408 3/20 0.46
▸ PTGER3 P43115 3/20 0.46
▸ PTGER2 P43116 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL27817521 0.79 PPIA (1.00) PPIAGAAMEN1KMT2AALDH1A1
SCHEMBL5305401 0.78 LMNA (0.60) MAPTGAAMEN1KMT2ALMNA
SCHEMBL10712905 0.76 LMNA (0.64) MAPTGAAMEN1KMT2ALMNA
SCHEMBL27980329 0.76 PPIA (1.00) PPIAMAPTMEN1KMT2A
SCHEMBL5335651 0.75 LMNA (0.57) MAPTGAAMEN1KMT2ALMNA
SCHEMBL28785395 0.74 PPIA (0.71) PPIA
SCHEMBL29273709 0.72 MAPT (0.65) PPIAMAPTMEN1KMT2ALMNA
Iodide SCHEMBL7715449 0.70 L3MBTL1 (0.58) MAPTGAAMEN1KMT2ALMNA
SCHEMBL5778368 0.69 ALDH1A1 (0.53) MAPTGAAMEN1KMT2ALMNA
SCHEMBL27980140 0.69 PPIA (1.00) 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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