SCHEMBL4365972

SCHEMBL4365972

O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ncccc3NCCCO)c3c(F)cccc3n2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.42
MEN1 O00255 6/20 0.42
ALDH1A1 P00352 6/20 0.42
POLB P06746 6/20 0.42
NPC1 O15118 4/20 0.42
LMNA P02545 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 5/20 0.35
HTT P42858 4/20 0.35
CYP1A2 P05177 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MITF O75030 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33

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
SCHEMBL4364191 0.72 FLT3 (0.44) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL4887116 0.66 KMT2A (0.38) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL4372169 0.66 KMT2A (0.38) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL10643025 0.66 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL10643023 0.66 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL14098400 0.64 MEN1 (0.50) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL29580186 0.62 KAT2B (0.53) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL29064848 0.62 KAT2B (0.53) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL3993543 0.62 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL3993540 0.62 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBNPC1

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
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 WO disclosed