SCHEMBL8945534

SCHEMBL8945534

O=C(OCc1ccccc1)c1ccnc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
KMT2A Q03164 2/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A3 Q01959 1/20 0.60
JMJD6 Q6NYC1 1/20 0.60
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
PKM P14618 1/20 0.53
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CASP3 P42574 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
SCHEMBL8945285 0.93 KDM5A (0.56) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL8945290 0.93 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL27525131 0.92 PKM (0.59) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL4582464 0.85 L3MBTL1 (0.57) TDP1KMT2AJMJD6SMN1; SMN2RAB9A
SCHEMBL19921398 0.85 JMJD6 (0.52) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL19940522 0.85 JMJD6 (0.52) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL20858947 0.85 TDP1 (0.60) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL24359749 0.84 L3MBTL1 (0.52) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL18607390 0.84 PKM (0.52) TDP1KMT2ASLC6A2SLC6A3JMJD6
SCHEMBL24414106 0.84 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3JMJD6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409119-B1 N,N'-Bis(alkoxy-alkyl)-pyridine-2,4-dicarboxylic acid amides, process for their preparation as well as their use HOECHST AG (DE) 1994-04-13 EP claimed
US-5519038-A ENZYME INHIBITORS SUITABLE AS FIBROSUPPRESSANTS AND IMMUNOSUPPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-21 US disclosed
CN-1060655-A 4-or 5-substituted pyridines-2-carboxylic acid, their preparation method and medicinal HOECHST AG (DE) 1992-04-29 CN disclosed