Sugi Predict

Sugi Predict / Compounds / SCHEMBL21037863

SCHEMBL21037863

SCHEMBL21037863

CN1C(=O)/C(=C\c2nc3ccc(N(C)CCOCC(C)(C)C)cc3o2)N=C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DGAT1 O75907 1/20 0.32
▸ CYBB P04839 4/20 0.32
▸ NOX4 Q9NPH5 4/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ KDR P35968 1/20 0.30

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
SCHEMBL21160616 0.86 CYBB (0.43) KMT2AL3MBTL1CYBBNOX4ALOX5
SCHEMBL22314199 0.78 MTNR1A (0.33) KMT2AL3MBTL1
SCHEMBL21037862 0.75 — —
SCHEMBL21036962 0.71 SLC16A3 (0.38) —
SCHEMBL21234675 0.69 KMT2A (0.36) KMT2AL3MBTL1CYBBNOX4PPARG
SCHEMBL21036819 0.66 CYBB (0.54) KMT2AL3MBTL1CYBBNOX4KDR
SCHEMBL21037413 0.65 L3MBTL1 (0.41) KMT2AL3MBTL1CYBBNOX4PPARG
SCHEMBL12960511 0.63 KDR (0.61) KMT2AL3MBTL1CYBBNOX4KDR
SCHEMBL3706297 0.63 KDR (0.61) KMT2AL3MBTL1CYBBNOX4KDR
SCHEMBL3706296 0.63 KDR (0.61) KMT2AL3MBTL1CYBBNOX4KDR

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-3489324-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF East China University of Science and Technology (CN) 2019-05-29 — — EP disclosed