SCHEMBL22897587

SCHEMBL22897587

FC(F)(F)c1ccc(-n2cnc(Br)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
APAF1 O14727 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
HDAC4 P56524 1/20 0.39
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL22926083 0.81 KDM4E (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL29620927 0.81 KDM4E (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL16030261 0.78 NOTUM (0.41) TDP1MAOB
SCHEMBL22925925 0.77 MAPT (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL29559433 0.77 MAPT (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL18579433 0.77 KDM4E (0.39) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL18579335 0.77 LMNA (0.40) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL28733791 0.75 KMT2A (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL22925831 0.74 HDAC4 (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL29620876 0.74 HDAC4 (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1

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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed