SCHEMBL9561769

SCHEMBL9561769

O=C(NCCCCO)c1ccnc(C(=O)[NH+]([O-])CCCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 5/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
CASP6 P55212 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9561544 0.85 POLB (0.51) KMT2APOLBMEN1ITGB3ITGA2B
SCHEMBL9561714 0.84 ALDH1A1 (0.50) KMT2APOLBKDM4EALDH1A1RECQL
SCHEMBL9561712 0.81 HPGD (0.48) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL9561715 0.79 HPGD (0.46) KMT2AMEN1KDM4EALDH1A1KDM5A
SCHEMBL8945334 0.74 POLB (0.54) KMT2APOLBMEN1ITGB3ITGA2B
SCHEMBL15994317 0.71 JMJD7 (0.49) KMT2APOLBMEN1KDM4EALDH1A1
Safironil SCHEMBL344153 0.70 ALDH1A1 (0.62) KMT2AMEN1ITGB3ITGA2BKDM4E
SCHEMBL5214396 0.70 KDM5B (0.60) POLBKDM4EKDM5AKDM5CKDM5B
SCHEMBL14904964 0.69 KMT2A (0.52) KMT2APOLBMEN1SMN1; SMN2
SCHEMBL8945406 0.69 ALDH1A1 (0.59) KMT2AKDM4EALDH1A1L3MBTL1SMN1; SMN2

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
US-5260323-A 2,4- and 2,5-substituted pyridine-N-oxides, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed