SCHEMBL7012913

SCHEMBL7012913

Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)cc3C2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
TOP2A P11388 5/20 0.42
TOP2B Q02880 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 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
SCHEMBL7008423 0.94 KDM4E (0.44) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7008552 0.91 HPGD (0.41) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7010053 0.86 ALDH1A1 (0.50) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7015097 0.85 HPGD (0.41) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7008680 0.83 TOP2A (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7013518 0.82 TOP2A (0.46) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL7011895 0.78 TOP2A (0.51) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7006129 0.77 TOP2A (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7501983 0.77 KCNH2 (0.37) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL7013977 0.77 TOP2A (0.53) KDM4EALDH1A1LMNAHTTSMN1; SMN2

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