SCHEMBL28601387

SCHEMBL28601387

O=C(CN1C[CH]OCC1)Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
AHR P35869 1/20 0.41
GCK P35557 1/20 0.38
KDR P35968 7/20 0.38
BRAF P15056 3/20 0.38
WNT3A P56704 1/20 0.37
PYGL P06737 1/20 0.37
PYGM P11217 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL4334289 0.90 KMT2A (0.54) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL28917671 0.86 KDR (0.42) GCKKDRBRAF
SCHEMBL4322907 0.85 ALDH1A1 (0.48) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL4329875 0.84 KDR (0.46) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL4329326 0.81 KDR (0.46) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL28593422 0.80 GCK (0.47) ALDH1A1MAPTGCKKDRBRAF
SCHEMBL13860977 0.78 AXL (0.52) KMT2AALDH1A1MAPTLMNAGCK
SCHEMBL200277 0.77 AXL (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL29251625 0.76 GCK (0.52) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL4330589 0.76 AXL (0.48) KDRBRAF

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-112876457-A Novel 4-phenoxypyridine derivative and application thereof 辽宁大学 2021-06-01 CN disclosed