SCHEMBL7720516

SCHEMBL7720516

NC(=O)c1cnc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
BLM P54132 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMD14 O00487 1/20 0.38
STAMBP O95630 1/20 0.38
COPS5 Q92905 1/20 0.38
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38

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
SCHEMBL1171022 0.86 KDM4E (0.45) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL29050819 0.85 GABRP (0.41) NNMTKDM4EALDH1A1ALOX15SMN1; SMN2
SCHEMBL9315419 0.81 KDM4E (0.41) KDM4EALDH1A1ALOX15CYP3A4MAPT
Nitrous Acid SCHEMBL28913581 0.81 KDM4E (0.41) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL2397267 0.80 NNMT (0.44) NNMTKDM4EL3MBTL1SMN1; SMN2PSMD14
SCHEMBL31314588 0.79 LMNA (0.41) NNMTKDM4EALDH1A1ALOX15SMN1; SMN2
SCHEMBL12350329 0.79 NNMT (0.40) NNMTKDM4EALDH1A1ALOX15SMN1; SMN2
SCHEMBL12350259 0.79 NNMT (0.40) NNMTALDH1A1TSHRSMN1; SMN2PSMD14
SCHEMBL28913580 0.79 KDM4E (0.37) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL19857468 0.76 GABRP (0.44) KDM4EALDH1A1ALOX15CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728744-B1 Process for the preparation of carboxylic acids of nitrogen-containing heterocycles LONZA AG (CH) 2002-04-10 EP disclosed
EP-0627422-B1 Process for the preparation of carboxamides of nitrogen-containing aromatic heterocycles LONZA AG (CH) 1997-04-09 EP disclosed
EP-0728744-A2 Process for the preparation of carboxylic acids of nitrogen-containing heterocycles LONZA A.G. (CH) 1996-08-28 EP disclosed
EP-0627422-A2 Process for the preparation of carboxamides of nitrogen-containing aromatic heterocycles, as well as their use LONZA A.G. (CH) 1994-12-07 EP disclosed