SCHEMBL7511784

SCHEMBL7511784

O=C(O)c1c[nH]c2cc(Br)c(C3CC3)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 2/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL5303665 0.84 KDM4E (0.48) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL7514224 0.82 GABRA1 (0.61) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL4962381 0.81 KDM4E (0.48) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL1421967 0.81 KDM4E (0.55) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL631845 0.79 KDM4E (0.52) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL12786970 0.77 KDM4E (0.52) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL6714523 0.77 HPGD (0.45) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL9319718 0.75 KDM4E (0.59) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL17242475 0.74 KDM4E (0.60) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL5191098 0.73 HTT (0.42) KDM4EHPGDALDH1A1PRKAB2PRKAG1

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