SCHEMBL582353

SCHEMBL582353

COC(=O)c1ccnc(-c2cc(F)c(C(F)(F)F)c(F)c2)c1.COC(=O)c1ccnc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.49
KDM4E B2RXH2 2/20 0.49
KDM6B O15054 1/20 0.49
KDM5C P41229 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49
JMJD6 Q6NYC1 2/20 0.44
SYK P43405 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ERN1 O75460 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SDHB P21912 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
NOTUM Q6P988 1/20 0.37
ABL1 P00519 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
KDM2B Q8NHM5 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
SCHEMBL582140 0.93 KDM4E (0.56) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL581820 0.87 KDM4C (0.52) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL581941 0.82 KDM4C (0.57) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL582328 0.81 KDM4E (0.48) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL581845 0.80 KDM4E (0.61) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL581125 0.79 KDM4E (0.46) KDM4CKDM4EKDM6BKDM5CKDM2A
Hydrochloric Acid SCHEMBL3089051 0.79 KDM4E (0.60) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL582158 0.79 KDM4E (0.53) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL390165 0.78 KDM4E (0.60) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL581107 0.78 KDM4C (0.56) 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