SCHEMBL7010053

SCHEMBL7010053

Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)cc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
TOP2A P11388 6/20 0.44
TOP2B Q02880 6/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 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
SCHEMBL7010716 0.90 HPGD (0.45) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7012913 0.86 KDM4E (0.44) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7008423 0.86 KDM4E (0.44) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7498452 0.85 TOP2A (0.47) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7011168 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7013315 0.85 TOP2A (0.61) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7012172 0.85 TOP2A (0.52) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7006784 0.85 TOP2A (0.46) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7007516 0.84 KDM4E (0.52) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL7008300 0.84 KDM4E (0.50) ALDH1A1KDM4ELMNAHTTSMN1; 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