SCHEMBL9561544

SCHEMBL9561544

O=C(NCCCCO)c1ccnc(C(=O)NCCCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KMT2A Q03164 7/20 0.50
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
MEN1 O00255 5/20 0.48
HIF1A Q16665 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAAA Q02083 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL8945334 0.89 POLB (0.54) POLBKMT2AITGB3ITGA2BMEN1
SCHEMBL9561769 0.85 KMT2A (0.41) POLBKMT2AITGB3ITGA2BMEN1
SCHEMBL15994317 0.84 JMJD7 (0.49) POLBKMT2AMEN1SMN1; SMN2NAAA
Safironil SCHEMBL344153 0.84 ALDH1A1 (0.62) KMT2AITGB3ITGA2BMEN1SMN1; SMN2
SCHEMBL5214396 0.83 KDM5B (0.60) POLBKDM4E
SCHEMBL14904964 0.82 KMT2A (0.52) POLBKMT2AMEN1SMN1; SMN2
SCHEMBL8945406 0.81 ALDH1A1 (0.59) KMT2ASMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL8945381 0.81 ALDH1A1 (0.59) KMT2ASMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL9561509 0.80 HPGD (0.58) KMT2AITGB3ITGA2BMEN1SMN1; SMN2
Lufironil SCHEMBL344625 0.80 HPGD (0.56) KMT2AITGB3ITGA2BMEN1ALDH1A1

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