SCHEMBL3990621

SCHEMBL3990621

O=C(O)Nc1ccc(OCc2ccccc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.50
▸ CXCR2 P25025 1/20 0.49
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SGMS2 Q8NHU3 2/20 0.43
▸ GLS O94925 2/20 0.43
▸ NOX1 Q9Y5S8 1/20 0.42
▸ GCK P35557 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ GBA1 P04062 1/20 0.41

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
SCHEMBL5675108 0.80 ENPP2 (0.52) ENPP2CXCR2LMNAHTTGAA
SCHEMBL4274920 0.80 LMNA (0.55) LMNAHTTGAAALDH1A1PKM
SCHEMBL4057693 0.75 NNMT (0.47) LMNAALDH1A1MEN1PABPC1KMT2A
SCHEMBL9374502 0.73 KDR (0.50) CXCR2PKM
SCHEMBL3002786 0.72 LMNA (0.49) LMNAHTTGAAALDH1A1PKM
SCHEMBL26697665 0.72 MEN1 (0.59) SGMS2GCKMEN1KMT2A
SCHEMBL10628510 0.72 SGMS2 (0.48) HTTGAASGMS2GCKMEN1
SCHEMBL28747791 0.71 PKM (0.46) ENPP2LMNAHTTGAAALDH1A1
SCHEMBL25343798 0.70 ALDH1A1 (0.50) LMNAHTTGAAALDH1A1MEN1
SCHEMBL518381 0.70 ALDH1A1 (0.50) LMNAHTTGAAALDH1A1PKM

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
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 — — EP disclosed
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