SCHEMBL7511600

SCHEMBL7511600

CCn1cc(C(=O)OC2CC2)c(=O)c2cc(F)c(Br)c(OC)c21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
LMNA P02545 1/20 0.41
PMP22 Q01453 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3820416 0.90 TOP1 (0.44) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7158963 0.84 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3869157 0.81 KDM4E (0.42) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10857506 0.81 HPGD (0.44) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1440873 0.79 HPGD (0.42) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30944930 0.78 ADRB2 (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7011678 0.78 ADRB2 (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL584797 0.77 STAT3 (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9442764 0.76 LMNA (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3869129 0.76 TOP1 (0.45) TOP1KDM4EALDH1A1HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 EP disclosed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 WO disclosed