SCHEMBL582038

SCHEMBL582038

COC(=O)C1CCNC(c2ccc(C(F)(F)F)c(C)c2)C1.COC(=O)c1ccnc(-c2ccc(C(F)(F)F)c(C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
KDM6B O15054 2/20 0.37
KDM5C P41229 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM3A Q9Y4C1 2/20 0.37
MAOB P27338 1/20 0.37
SYK P43405 4/20 0.35
KDM5B Q9UGL1 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
NOTUM Q6P988 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
RBP4 P02753 1/20 0.34
NR1H2 P55055 1/20 0.33
KDR P35968 2/20 0.32
PDE4D Q08499 1/20 0.32
SDHB P21912 1/20 0.32
TGFBR1 P36897 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31

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
SCHEMBL580963 0.90 KDM4E (0.37) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL581662 0.84 SLC6A3 (0.38)
Hydrochloric Acid SCHEMBL582355 0.83 SYK (0.41) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL581219 0.81 KDM4E (0.53) KDM4EKDM6BKDM5CKDM4CKDM2A
Hydrochloric Acid SCHEMBL582068 0.75 SYK (0.36) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3063445 0.74 KDM1A (0.42)
Hydrochloric Acid SCHEMBL580941 0.73 KDM1A (0.41)
Hydrochloric Acid SCHEMBL582281 0.71 KDM4E (0.36) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL582158 0.71 KDM4E (0.53) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL581068 0.70 TDP1 (0.44) KDM4E

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-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed