SCHEMBL7009937

SCHEMBL7009937

CCOC(=O)CC(=O)c1c(F)c(OC)c(Br)c(F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 4/20 0.34
TNF P01375 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MITF O75030 1/20 0.32
DRD2 P14416 1/20 0.31
LMNA P02545 2/20 0.31
IMPDH2 P12268 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL3189044 0.82 MAPT (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4671913 0.80 MAPT (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7811246 0.79 MAPT (0.34) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7007613 0.78 SMN1; SMN2 (0.44) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7004770 0.78 MAPT (0.37) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9049112 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20396247 0.72 SMN1; SMN2 (0.59) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9720461 0.72 GAA (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7008342 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL19728376 0.68 GAA (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed