SCHEMBL9814904

SCHEMBL9814904

CCc1cccc2nc(C(=O)O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.55
KDM4E B2RXH2 6/20 0.50
ALOX15 P16050 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 1/20 0.50
ACMSD Q8TDX5 1/20 0.50
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
FDPS P14324 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL31525343 0.83 MGAM (0.49) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL8852131 0.80 MGAM (0.49) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL7629466 0.80 MGAM (0.56) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL30744791 0.79 ALOX15 (0.61) MGAMKDM4EALOX15ALDH1A1HPGD
SCHEMBL2806839 0.78 MGAM (0.58) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL5181112 0.78 MGAM (0.58) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL6197830 0.76 MGAM (0.56) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL18365930 0.76 MGAM (0.56) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL2909537 0.76 MGAM (0.56) MGAMKDM4EALOX15TDP1TSHR
SCHEMBL6193849 0.76 MGAM (0.56) MGAMKDM4EALOX15TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247277-B1 PROCESS FOR THE PREPARATION OF 5-ALKYLQUINOLINIC ACIDS AND MEANS FOR CARRYING OUT THIS PROCESS RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1991-09-11 EP disclosed
EP-0247277-A2 Process for the preparation of 5-alkylquinolinic acids and means for carrying out this process RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) 1987-12-02 EP disclosed