SCHEMBL4364191

SCHEMBL4364191

O=[N+]([O-])c1ccc(/C=C/c2nc(NCCCN3CCCC3)c3c(F)cccc3n2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.44
NPC1 O15118 4/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACP1 P24666 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
SCHEMBL4886376 0.84 FLT3 (0.50) FLT3NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL4886383 0.84 FLT3 (0.50) FLT3NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL4370967 0.84 FLT3 (0.55) FLT3ACP1MELK
SCHEMBL4370973 0.84 FLT3 (0.55) FLT3ACP1MELK
SCHEMBL4885754 0.80 FLT3 (0.41) FLT3NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL4369838 0.80 FLT3 (0.41) FLT3NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL4365972 0.72 KMT2A (0.42) NPC1LMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL14098400 0.71 MEN1 (0.50) FLT3NPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL14167507 0.69 FLT3 (0.51) FLT3ACP1MELK
SCHEMBL14167789 0.68 FLT3 (0.56) FLT3ACP1MELK

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