SCHEMBL7012172

SCHEMBL7012172

Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4C)cc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 12/20 0.52
TOP2B Q02880 12/20 0.52
KCNH2 Q12809 3/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3B P49841 1/20 0.39

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
SCHEMBL7013315 0.94 TOP2A (0.61) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7006571 0.92 TOP2A (0.51) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7007624 0.91 TOP2A (0.49) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL8322686 0.91 TOP2A (0.41) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7014091 0.91 TOP2A (0.41) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7008688 0.90 ADRB2 (0.45) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7014704 0.89 TOP2A (0.49) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7008331 0.89 TOP2A (0.47) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL7008348 0.86 ALDH1A1 (0.47) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7502981 0.86 HDAC1 (0.41) TOP2ATOP2BKCNH2KDM4EALDH1A1

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