SCHEMBL4311547

SCHEMBL4311547

O=C(O)c1ccc2ccccc2c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.59
LDHA P00338 1/20 0.58
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
CDC25B P30305 1/20 0.47
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.43

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
SCHEMBL28021179 0.87 WDR5 (0.47) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL8526601 0.82 WDR5 (0.59) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL7719127 0.81 ALDH1A1 (0.46) WDR5LDHAALDH1A1HPGDKDM4E
SCHEMBL7719518 0.78 PTPN1 (0.54) ALDH1A1HPGDKDM4EPLA2G2DHSD17B10
SCHEMBL7090621 0.78 MEN1 (0.53) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL24895076 0.78 POLB (0.58) LDHANR4A1NR4A2NR4A3CDC25B
SCHEMBL27990317 0.78 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EALOX15USP2
SCHEMBL27782225 0.77 WDR5 (0.53) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL31556375 0.76 WDR5 (0.66) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL14150439 0.76 WDR5 (0.66) WDR5LDHANR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed
CN-1071540-C Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 2001-09-26 CN disclosed
CN-1140542-A Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1997-01-22 CN disclosed