SCHEMBL319346

SCHEMBL319346

O=C(O)c1cccc(-c2cccc(F)c2F)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ACMSD Q8TDX5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B14 Q9BPX1 9/20 0.51
CTSA P10619 5/20 0.51
ECE1 P42892 1/20 0.45
KMO O15229 2/20 0.44
PTGER1 P34995 2/20 0.44

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
SCHEMBL319710 0.88 CTSA (0.56) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL13758107 0.81 KDM4E (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL318982 0.81 KDM4E (0.57) KDM4EALOX15TSHRACMSDTDP1
2-Picolinic Acid SCHEMBL5670387 0.79 LMNA (0.56) KDM4EHSD17B14CTSAKMO
SCHEMBL1725525 0.79 KDM4E (0.46) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29357675 0.78 KDM4E (0.76) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL70765 0.78 KDM4E (0.76) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL28554483 0.78 CTSA (0.53) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL11907284 0.78 KMO (0.60) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL16898859 0.78 NAPRT (0.49) KDM4EALOX15TSHRACMSDTDP1

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
CN-112794860-B Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application 上海肇钰医药科技有限公司 2021-06-29 CN disclosed
CN-112794860-A Oxazole pyrimidone amide compound or medicinal salt thereof, preparation method and application 上海肇钰医药科技有限公司 2021-05-14 CN disclosed
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed