SCHEMBL631845

SCHEMBL631845

O=C(O)c1c[nH]c2cc(F)c(C3CCCC3)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
MEN1 O00255 2/20 0.46
ALOX12 P18054 1/20 0.46
PRKAB2 O43741 7/20 0.45
PRKAG1 P54619 7/20 0.45
PRKAA2 P54646 7/20 0.45
PRKAA1 Q13131 7/20 0.45
PRKAG3 Q9UGI9 7/20 0.45
PRKAG2 Q9UGJ0 7/20 0.45
PRKAB1 Q9Y478 7/20 0.45
HSD17B10 Q99714 3/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PTPN7 P35236 1/20 0.40
GABRA1 P14867 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
SCHEMBL1421967 0.90 KDM4E (0.55) KDM4EKMT2AHPGDALDH1A1CYP1A2
Cyclopropane SCHEMBL9732364 0.83 KDM4E (0.45) KDM4EKMT2AHPGDALDH1A1CYP1A2
SCHEMBL2978428 0.80 KDM4E (0.67) KDM4EKMT2AHPGDALDH1A1CYP1A2
SCHEMBL4962381 0.79 KDM4E (0.48) KDM4EKMT2AHPGDALDH1A1CYP1A2
SCHEMBL5303665 0.79 KDM4E (0.48) KDM4EKMT2AHPGDALDH1A1CYP1A2
SCHEMBL7511784 0.79 KDM4E (0.48) KDM4EKMT2AHPGDALDH1A1CYP1A2
SCHEMBL17242475 0.75 KDM4E (0.60) KDM4EKMT2AHPGDALDH1A1CYP1A2
SCHEMBL9319718 0.73 KDM4E (0.59) KDM4EKMT2AHPGDALDH1A1CYP1A2
SCHEMBL10478126 0.72 KDM4E (0.60) KDM4EKMT2AHPGDALDH1A1CYP1A2
SCHEMBL28441880 0.72 KDM4E (0.60) KDM4EKMT2AHPGDALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed