SCHEMBL7010993

SCHEMBL7010993

CCOC(=O)c1cn(CC)c2c(C)c(-c3ccc4c(c3)CN(S(=O)(=O)c3ccc(C)cc3)C4)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
TP53 P04637 3/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7009483 0.94 HPGD (0.43) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7008348 0.91 ALDH1A1 (0.47) HPGDKMT2AMEN1MAPTTP53
SCHEMBL7008688 0.89 ADRB2 (0.45) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL8323507 0.88 KMT2A (0.42) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7008238 0.88 KMT2A (0.42) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7008233 0.87 HPGD (0.38) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7012150 0.84 KDM4E (0.46) HPGDKMT2AMEN1MAPTTP53
SCHEMBL7010320 0.84 TOP2A (0.49) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7008129 0.83 ADRB2 (0.44) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7010122 0.82 ADRB2 (0.43) HPGDKMT2AMEN1MAPTTHRB

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