SCHEMBL7009950

SCHEMBL7009950

Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4c(F)cc5c(=O)c(C(=O)O)cn(-c6ccc(F)cc6F)c5c4C)cc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 5/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 4/20 0.40
POLB P06746 4/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 1/20 0.39
EPHA2 P29317 1/20 0.38
FLT4 P35916 1/20 0.38
GSK3B P49841 1/20 0.38
RARB P10826 1/20 0.38
TBXAS1 P24557 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL7008233 0.91 HPGD (0.38) ALDH1A1LMNAKDM4EHPGDHTT
SCHEMBL7014071 0.86 LMNA (0.46) ALDH1A1LMNAKDM4EHPGDHTT
SCHEMBL7098456 0.85 LMNA (0.49) ALDH1A1LMNAKDM4EHPGDHTT
SCHEMBL7006233 0.85 LMNA (0.43) ALDH1A1LMNAKDM4EHPGDHTT
SCHEMBL7008348 0.84 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHPGDHTT
SCHEMBL15828719 0.84 EPHA2 (0.46) ALDH1A1LMNAKDM4EHPGDHTT
SCHEMBL7012172 0.84 TOP2A (0.52) ALDH1A1LMNAKDM4EHTTGSK3B
SCHEMBL7012150 0.84 KDM4E (0.46) ALDH1A1LMNAKDM4EHPGDHTT
SCHEMBL7014091 0.82 TOP2A (0.41) ALDH1A1LMNAKDM4EHPGDHTT
SCHEMBL8322686 0.82 TOP2A (0.41) ALDH1A1LMNAKDM4EHPGDHTT

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