SCHEMBL580679

SCHEMBL580679

COC(=O)c1ccnc(-c2ccc(OC(F)(F)F)cc2F)c1.COC(=O)c1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
JMJD6 Q6NYC1 1/20 0.42
ABL1 P00519 4/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PTGES O14684 1/20 0.40
CYP1A2 P05177 2/20 0.39
KDM1A O60341 2/20 0.38
HDAC1 Q13547 2/20 0.38

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
SCHEMBL580964 0.93 KDM4C (0.52) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL581125 0.85 KDM4E (0.46) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL582048 0.84 KDM4C (0.50) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL581298 0.79 KDM4C (0.55) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL29141527 0.78 KDM4E (0.58) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL581889 0.78 KDM4E (0.52) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL582353 0.77 KDM4C (0.49) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL25002931 0.77 SCN10A (0.67) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL580705 0.77 KDM4E (0.57) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL390165 0.76 KDM4E (0.60) KDM4CKDM4EKDM6BKDM5CKDM2A

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