SCHEMBL7002652

SCHEMBL7002652

O=C(OCc1ccccc1)c1c[nH]c2c(C3CC3)c(OS(=O)(=O)C(F)(F)F)c(F)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
STAT3 P40763 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
CLEC4M Q9H2X3 1/20 0.34
RAB9A P51151 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
MDH2 P40926 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLAT P00750 1/20 0.34
TPSAB1 Q15661 1/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL1498578 0.78 PLAT (0.41) KDM4ESTAT3GABRA1GABRB1GABRA3
SCHEMBL7843262 0.74 RXFP1 (0.40) KDM4EGABRA1GABRB2CLEC4MCYP1A2
SCHEMBL5773206 0.70 STAT3 (0.42) KDM4ESTAT3ALDH1A1CYP1A2HPGD
SCHEMBL9487698 0.70 CYP1A2 (0.56) KDM4ESTAT3GABRA1GABRB1GABRA3
SCHEMBL7517643 0.68 CYP1A2 (0.54) KDM4EGABRA1GABRB1GABRA3GABRB2
SCHEMBL6248866 0.68 PRKAB2 (0.40) KDM4EALDH1A1HPGD
SCHEMBL146640 0.67 CYP1A2 (0.36) KDM4ECLEC4MALDH1A1CYP1A2CYP3A4
SCHEMBL7002649 0.65 KDM4E (0.43) KDM4EALDH1A1CYP1A2HPGD
SCHEMBL6536499 0.64 ALDH1A1 (0.48) TDP1RAB9AALDH1A1CYP3A4HPGD
SCHEMBL4962609 0.64 CSNK2A2 (0.49) KDM4EALDH1A1CYP1A2CYP3A4HPGD

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