SCHEMBL7008300

SCHEMBL7008300

Cc1ccc(S(=O)(=O)N2Cc3c(F)cc(-c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)c(F)c3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TOP2A P11388 3/20 0.46
TOP2B Q02880 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 1/20 0.44
PIK3CD O00329 3/20 0.41
PIK3R1 P27986 3/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CG P48736 3/20 0.41

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
SCHEMBL7012882 0.90 HPGD (0.45) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7010053 0.84 ALDH1A1 (0.50) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7013345 0.84 TOP2A (0.49) KDM4EALDH1A1LMNATOP2ATOP2B
SCHEMBL6305080 0.79 ALDH1A1 (0.76) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7006246 0.78 TOP2A (0.58) KDM4EALDH1A1LMNATOP2ATOP2B
SCHEMBL27444859 0.77 ALDH1A1 (0.59) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7008423 0.77 KDM4E (0.44) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7012913 0.77 KDM4E (0.44) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7502897 0.76 KCNH2 (0.45) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7499012 0.76 TOP2A (0.43) 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