SCHEMBL7008348

SCHEMBL7008348

CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc4c(c3)CN(S(=O)(=O)c3ccc(C)cc3)C4)c(C)c21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HPGD P15428 6/20 0.47
HTT P42858 4/20 0.47
KDM4E B2RXH2 7/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 2/20 0.40
HDAC1 Q13547 1/20 0.40
PIM1 P11309 1/20 0.39
PMP22 Q01453 1/20 0.39
DRD3 P35462 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
SCHEMBL7012150 0.93 KDM4E (0.46) ALDH1A1HPGDHTTKDM4EPOLB
SCHEMBL7010993 0.91 HPGD (0.48) ALDH1A1HPGDHTTKDM4EGAA
SCHEMBL7012172 0.86 TOP2A (0.52) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
SCHEMBL7010134 0.85 DRD3 (0.48) ALDH1A1HPGDHTTKDM4EPOLB
SCHEMBL7009483 0.85 HPGD (0.43) ALDH1A1HPGDKDM4EGAASMN1; SMN2
SCHEMBL8322686 0.85 TOP2A (0.41) ALDH1A1HPGDHTTKDM4ESMN1; SMN2
SCHEMBL7014091 0.85 TOP2A (0.41) ALDH1A1HPGDHTTKDM4ESMN1; SMN2
SCHEMBL7009950 0.84 ALDH1A1 (0.40) ALDH1A1HPGDHTTKDM4EPOLB
SCHEMBL7013315 0.82 TOP2A (0.61) ALDH1A1HTTKDM4ESMN1; SMN2LMNA
SCHEMBL7011126 0.81 CD4 (0.37) ALDH1A1HPGDHTTTP53LMNA

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