SCHEMBL9502803

SCHEMBL9502803

CC(=O)c1ccccc1CNc1c(F)c(F)cc(F)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.39
NOX4 Q9NPH5 1/20 0.35
PTGER2 P43116 1/20 0.35
CLCN2 P51788 1/20 0.35
KMT2A Q03164 4/20 0.34
HTT P42858 1/20 0.34
VNN1 O95497 1/20 0.34
MEN1 O00255 3/20 0.33
BRD4 O60885 2/20 0.33
KDM4E B2RXH2 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOD2 Q9HC29 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.33
MAPT P10636 1/20 0.33
ATG4B Q9Y4P1 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
SCHEMBL9500952 0.82 SMN1; SMN2 (0.36) PTGER2KMT2AHTTKDM4ENPC1
SCHEMBL9501324 0.80 TSHR (0.46) HIF1APTGER2KMT2AMEN1KDM4E
SCHEMBL14429809 0.66 HPGD (0.43) HIF1AHTTKDM4EALDH1A1LMNA
SCHEMBL24932614 0.65 HPGD (0.42) HIF1ACLCN2HTTKDM4EALDH1A1
SCHEMBL25762433 0.65 HPGD (0.42) HIF1ACLCN2HTTKDM4ENPC1
SCHEMBL2429746 0.65 MEN1 (0.47) HIF1ACLCN2KMT2AMEN1AKR1C3
Hydrogen Peroxide SCHEMBL11781319 0.64 CLCN2 (0.49) CLCN2HTTKDM4EALDH1A1LMNA
SCHEMBL29256926 0.64 FTO (0.55) CLCN2KMT2AMEN1AKR1C3AKR1C2
SCHEMBL1863835 0.63 POLB (0.57) HIF1AKMT2AMEN1KDM4ENPC1
SCHEMBL15959651 0.63 TSHR (0.58) HIF1ACLCN2HTTBRD4KDM4E

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