SCHEMBL7500713

SCHEMBL7500713

CCOC(=O)c1cn(C2CC2)c2c(C(F)(F)F)c(Br)ccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 3/20 0.40
KDM4E B2RXH2 4/20 0.39
KCNH2 Q12809 3/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
STAT3 P40763 1/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL8927420 0.89 ADRB2 (0.51) ADRB2TDP1LMNAHPGDKDM4E
SCHEMBL7507103 0.86 ADRB2 (0.55) ADRB2TDP1LMNAKCNH2KMT2A
SCHEMBL5733629 0.86 ADRB2 (0.48) ADRB2TDP1LMNAHPGDKDM4E
SCHEMBL7504273 0.84 ADRB2 (0.47) ADRB2TDP1LMNAHPGDKCNH2
SCHEMBL7496082 0.83 KCNH2 (0.48) ADRB2TDP1LMNAHPGDKDM4E
SCHEMBL8735574 0.82 ADRB2 (0.61) ADRB2HPGDKDM4EKCNH2KMT2A
SCHEMBL2081998 0.82 ADRB2 (0.45) ADRB2TDP1LMNAHPGDKCNH2
SCHEMBL9148042 0.80 ADRB2 (0.55) ADRB2TDP1HPGDKDM4EKCNH2
SCHEMBL6783818 0.80 ADRB2 (0.59) ADRB2TDP1HPGDKDM4EKCNH2
SCHEMBL115123 0.79 ADRB2 (0.54) ADRB2TDP1HPGDKDM4EKCNH2

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-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 EP disclosed