SCHEMBL7006784

SCHEMBL7006784

Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4nc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)cc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.46
TOP2B Q02880 9/20 0.46
DPP4 P27487 6/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
ABCC4 O15439 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 1/20 0.42
DRD1 P21728 1/20 0.42
HDAC1 Q13547 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
SCHEMBL7005348 0.90 HPGD (0.41) TOP2ATOP2BDPP4KDM4ELMNA
SCHEMBL7010564 0.86 TOP2A (0.50) TOP2ATOP2BDPP4KDM4ELMNA
SCHEMBL7010053 0.85 ALDH1A1 (0.50) TOP2ATOP2BKDM4ELMNAHSD17B10
SCHEMBL7098456 0.84 LMNA (0.49) KDM4ELMNAHSD17B10ALDH1A1HTT
SCHEMBL7006571 0.84 TOP2A (0.51) TOP2ATOP2BKDM4ELMNAALDH1A1
SCHEMBL7013315 0.84 TOP2A (0.61) TOP2ATOP2BKDM4ELMNAALDH1A1
SCHEMBL7012172 0.84 TOP2A (0.52) TOP2ATOP2BKDM4ELMNAALDH1A1
SCHEMBL27445406 0.82 TOP2A (0.50) TOP2ATOP2BDPP4KDM4ELMNA
SCHEMBL7498452 0.82 TOP2A (0.47) TOP2ATOP2BKDM4ELMNAALDH1A1
SCHEMBL7007624 0.82 TOP2A (0.49) TOP2ATOP2BKDM4ELMNAHSD17B10

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