SCHEMBL28908207

SCHEMBL28908207

COc1ccc(C(=O)NNC(=O)c2ccc(C3=NOC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
LMNA P02545 4/20 0.38
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 6/20 0.36
POLB P06746 2/20 0.36
KCNH2 Q12809 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ADCY1 Q08828 1/20 0.35
PTGS2 P35354 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL28908213 0.93 TLR7 (0.38) CYP3A4MAPTKCNH2
SCHEMBL28908170 0.92 CYP2C19 (0.42) HTTLMNAKMT2ACYP3A4MAPT
SCHEMBL28908216 0.91 RXFP1 (0.34) HTTPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL28908171 0.91 POLB (0.35) MAPTPOLBSMN1; SMN2NPC1
SCHEMBL28960551 0.89 ADCY8 (0.33) HTTPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL28908212 0.87 LMNA (0.32) HTTLMNAMAPTPOLBL3MBTL1
SCHEMBL29773466 0.87 LMNA (0.34) HTTLMNAKMT2ACYP3A4MAPT
SCHEMBL1795743 0.87 CA1 (0.36) HTTLMNAMAPTL3MBTL1TDP1
SCHEMBL28908196 0.87 HTT (0.38) HTTLMNAKMT2AMAPTPOLB
SCHEMBL1547830 0.87 MAPT (0.43) HTTLMNAKMT2ACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380762-A Isoxazoline hydrazide derivative and preparation method and application thereof 贵州大学 2022-04-22 CN disclosed