SCHEMBL22470187

SCHEMBL22470187

Fc1c(Oc2ccccc2)c(-c2cccs2)c2nsnc2c1-c1cccs1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
DHODH Q02127 1/20 0.34
MAPT P10636 6/20 0.33
KDM4E B2RXH2 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 7/20 0.33
HSD17B10 Q99714 4/20 0.33
TSHR P16473 3/20 0.33
HPGD P15428 3/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 6/20 0.33
RPS6KB2 Q9UBS0 1/20 0.33

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
SCHEMBL17629885 0.91 MAPT (0.36) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18871724 0.84 ALDH1A1 (0.34) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18839910 0.84 LTA4H (0.44) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18871725 0.84 ALDH1A1 (0.47) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL17629968 0.83 BTK (0.37) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL726615 0.82 DHODH (0.41) ACHEDHODHMAPTKDM4ENPC1
SCHEMBL18839941 0.81 SRD5A2 (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1RPS6KB2
SCHEMBL18839885 0.81 CYP19A1 (0.38) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18871723 0.81 ALDH1A1 (0.36) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL18871951 0.79 DPP4 (0.36) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840824-B Disubstituted fluoroaryloxy radicals Benzaoxadiazole compounds 艾尼股份公司 2024-08-27 CN disclosed
EP-3941995-B1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI SPA (IT) 2024-08-14 EP disclosed
EP-3941995-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI S.p.A. (IT) 2022-01-26 EP disclosed
WO-2020194147-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI S.P.A. (IT) 2020-10-01 WO disclosed
WO-2020194147-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI S.P.A. (IT) 2020-10-01 WO disclosed