SCHEMBL7007613

SCHEMBL7007613

COc1c(F)c(C(=O)O)c([N+](=O)[O-])c(F)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.42
TPMT P51580 1/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 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
SCHEMBL1202914 0.86 SMN1; SMN2 (0.47) SMN1; SMN2PKMTPMTALDH1A1KDM4E
SCHEMBL27287426 0.83 SMN1; SMN2 (0.47) SMN1; SMN2PKMTPMTALDH1A1KDM4E
SCHEMBL27974983 0.80 SMN1; SMN2 (0.51) SMN1; SMN2PKMTPMTALDH1A1KDM4E
SCHEMBL1202939 0.79 SMN1; SMN2 (0.44) SMN1; SMN2PKMTPMTALDH1A1KDM4E
SCHEMBL20396247 0.79 SMN1; SMN2 (0.59) SMN1; SMN2PKMTPMTPTPN1ALDH1A1
SCHEMBL27439512 0.79 PTPN1 (0.44) SMN1; SMN2TPMTPTPN1ALDH1A1KDM4E
SCHEMBL7009937 0.78 ALDH1A1 (0.40) SMN1; SMN2PKMALDH1A1KDM4EPOLB
SCHEMBL27565467 0.76 SMN1; SMN2 (0.47) SMN1; SMN2PKMTPMTALDH1A1KDM4E
SCHEMBL27640077 0.76 SMN1; SMN2 (0.47) SMN1; SMN2PKMTPMTALDH1A1KDM4E
SCHEMBL27722046 0.75 MEN1 (0.44) SMN1; SMN2TPMTPTPN1ALDH1A1KDM4E

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