SCHEMBL9500952

SCHEMBL9500952

CCOC(=O)CC(=O)c1c(F)cc(F)c(F)c1NCc1ccccc1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NLRP3 Q96P20 2/20 0.35
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
MIF P14174 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL9502803 0.82 HIF1A (0.39) SMN1; SMN2KDM4ERAB9ANPC1HTT
SCHEMBL9263418 0.73 ALDH1A1 (0.44) SMN1; SMN2KDM4ERAB9ANPSR1TP53
SCHEMBL1349347 0.72 MGAM (0.47) SMN1; SMN2KDM4ERAB9ANPSR1TP53
SCHEMBL5502158 0.71 MEN1 (0.43) SMN1; SMN2KDM4ENPSR1NLRP3KMT2A
SCHEMBL9500955 0.69 TSPO (0.43) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
SCHEMBL9046771 0.69 KDM4E (0.41) SMN1; SMN2KDM4ETDP1L3MBTL1NLRP3
SCHEMBL29692244 0.69 PTPN1 (0.56) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
SCHEMBL312900 0.69 PTPN1 (0.56) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
SCHEMBL7005186 0.68 LMNA (0.41) SMN1; SMN2KDM4ERAB9ANPC1L3MBTL1
SCHEMBL31439627 0.67 PTPN1 (0.54) SMN1; SMN2KDM4ERAB9ANPC1NPSR1

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-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 EP disclosed