SCHEMBL11089552

SCHEMBL11089552

O=C1Cc2cccc(Oc3ccccn3)c2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
AHR P35869 2/20 0.45
PDK2 Q15119 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
TDP2 O95551 2/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MAP3K14 Q99558 1/20 0.37
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
NEK2 P51955 2/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL22904148 0.84 TDP2 (0.48) KDM4EAHRPDK2FFAR4TDP2
SCHEMBL11094233 0.82 AHR (0.59) AHRPDK2EGFRERBB2TDP2
SCHEMBL11088168 0.78 AHR (0.56) AHRPDK2TDP2CASP3CASP7
SCHEMBL11094002 0.75 AHR (0.49) KDM4EAHRPDK2EGFRERBB2
SCHEMBL11089493 0.75 AHR (0.71) AHRPDK2EGFRERBB2TDP2
SCHEMBL11091415 0.75 AHR (0.49) KDM4EAHRPDK2EGFRERBB2
SCHEMBL11084619 0.74 AHR (0.47) KDM4EAHRPDK2EGFRERBB2
SCHEMBL11096499 0.72 AHR (0.66) AHRPDK2EGFRERBB2TDP2
SCHEMBL1317350 0.72 AHR (0.56) KDM4EAHRPDK2TDP2CASP3
SCHEMBL11083363 0.72 AHR (0.45) AHRPDK2TDP2CASP3CASP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022092084-A1 FUSED HETEROCYCLE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT クミアイ化学工業株式会社 2022-05-05 WO disclosed
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP disclosed