SCHEMBL7002649

SCHEMBL7002649

O=C(O)c1c[nH]c2c(C3CC3)c(O)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
CSNK2A2 P19784 4/20 0.41
CSNK2B P67870 4/20 0.41
CSNK2A1 P68400 4/20 0.41
CYP1A2 P05177 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
DNA2 P51530 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
LMNA P02545 2/20 0.37
TET2 Q6N021 1/20 0.36
TET1 Q8NFU7 1/20 0.36
TOP2A P11388 2/20 0.35
TOP2B Q02880 2/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5794312 0.88 KDM4E (0.44) KDM4ECSNK2A2CSNK2BCSNK2A1CYP1A2
SCHEMBL4962609 0.86 CSNK2A2 (0.49) KDM4ECSNK2A2CSNK2BCSNK2A1CYP1A2
SCHEMBL1421988 0.85 CSNK2A2 (0.48) KDM4ECSNK2A2CSNK2BCSNK2A1CYP1A2
SCHEMBL17769266 0.85 CSNK2A2 (0.48) KDM4ECSNK2A2CSNK2BCSNK2A1CYP1A2
Hydrochloric Acid SCHEMBL8912217 0.85 KDM4E (0.43) KDM4ECSNK2A2CSNK2BCSNK2A1CYP1A2
SCHEMBL7512756 0.81 ALDH1A1 (0.45) KDM4ECSNK2A2CSNK2BCSNK2A1CYP1A2
SCHEMBL10480544 0.80 LMNA (0.41) KDM4ECSNK2A2CSNK2BCSNK2A1CYP1A2
SCHEMBL4721467 0.80 KDM4E (0.43) KDM4ECSNK2A2CSNK2BCSNK2A1CYP1A2
SCHEMBL9522706 0.79 KDM4E (0.39) KDM4ECSNK2A2CSNK2BCSNK2A1CYP1A2
SCHEMBL6248866 0.79 PRKAB2 (0.40) KDM4ECSNK2A2CSNK2BCSNK2A1ALDH1A1

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-1349853-A2 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS Pharmacia & Upjohn Company (US) 2003-10-08 EP disclosed
WO-2002059116-A2 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-08-01 WO disclosed