SCHEMBL9358679

SCHEMBL9358679

Cc1cnc2c(OC(=O)O)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.56
KDM4E B2RXH2 3/20 0.55
PSMD14 O00487 1/20 0.51
COPS5 Q92905 1/20 0.51
CCR1 P32246 2/20 0.49
CCR5 P51681 2/20 0.49
CCR8 P51685 2/20 0.49
HPGDS O60760 2/20 0.47
SLC40A1 Q9NP59 2/20 0.46
LMNA P02545 4/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HSP90AA1 P07900 1/20 0.42
CYP1A2 P05177 1/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7466188 0.88 PARP1 (0.56) PARP1KDM4EPSMD14COPS5CCR1
SCHEMBL7460486 0.86 LMNA (0.64) PARP1KDM4EPSMD14COPS5CCR1
SCHEMBL434888 0.79 HPGDS (0.62) PARP1KDM4EPSMD14COPS5CCR1
SCHEMBL27190487 0.77 KDM4E (0.59) KDM4EPSMD14HPGDSLMNAMETAP2
SCHEMBL9355371 0.76 PARP1 (0.74) PARP1KDM4EPSMD14COPS5CCR1
SCHEMBL1398196 0.76 CYP1A2 (0.41) PARP1KDM4ECYP1A2NPSR1ALDH1A1
SCHEMBL3415803 0.76 LMNA (0.71) KDM4ELMNAMETAP2METAP1HDAC6
SCHEMBL10768382 0.75 LMNA (0.47) KDM4EHPGDSLMNAMETAP2METAP1
SCHEMBL20181093 0.75 MAPT (0.54) PARP1KDM4EPSMD14COPS5CCR1
SCHEMBL7623213 0.75 MAPT (0.38) KDM4ELMNAMETAP2METAP1HDAC6

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-0417543-B1 Process for the preparation of 3-methylquinolin-8-carboxylic acid BASF AG (DE) 1994-11-02 EP disclosed
EP-0417543-B1 Process for the preparation of 3-methylquinolin-8-carboxylic acid BASF AG (DE) 1994-11-02 EP disclosed
EP-0417543-A2 Process for the preparation of 3-methylquinolin-8-carboxylic acid BASF Aktiengesellschaft (DE) 1991-03-20 EP disclosed
EP-0417543-A2 Process for the preparation of 3-methylquinolin-8-carboxylic acid BASF Aktiengesellschaft (DE) 1991-03-20 EP disclosed