SCHEMBL7384304

SCHEMBL7384304

O=C(Cc1cc(=O)c2cc(OC(F)(F)F)ccc2[nH]1)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.44
MET P08581 1/20 0.43
GHSR Q92847 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 3/20 0.39
TRPV1 Q8NER1 1/20 0.38
CYP2C9 P11712 1/20 0.38
DAO P14920 1/20 0.38
DDR1 Q08345 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7465079 0.86 KDM4E (0.60) KDM4ECRHBPCRHR2KMT2AGAA
SCHEMBL7380843 0.81 KDM4E (0.54) KDM4ECRHBPCRHR2KMT2AGAA
SCHEMBL9176990 0.80 KDM4E (0.64) KDM4ECRHBPCRHR2KMT2AGAA
SCHEMBL3021147 0.69 AKR1C2 (0.61) KDM4EKMT2AGAAGHSRPTGS2
SCHEMBL29799131 0.69 KIF11 (0.66) KDM4ECRHBPCRHR2KMT2AGAA
SCHEMBL3428313 0.69 KDM4E (0.61) KDM4EHDAC1HDAC2KMT2AGAA
SCHEMBL2539400 0.68 KDM4E (0.58) KDM4ECRHBPCRHR2KMT2AGAA
SCHEMBL12075217 0.68 KDM4E (0.61) KDM4ECRHBPCRHR2KMT2AGAA
Lithium Ion SCHEMBL3428310 0.68 KDM4E (0.56) KDM4ECRHBPCRHR2HDAC1HDAC2
SCHEMBL28207430 0.67 KDM4E (0.53) KDM4ECRHBPCRHR2HDAC1HDAC2

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
WO-2000069827-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-11-23 WO claimed