SCHEMBL7522656

SCHEMBL7522656

O=C(Nc1cccc2cccnc12)c1ccccc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KDM4E B2RXH2 1/20 0.68
KDR P35968 6/20 0.67
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
RAB9A P51151 1/20 0.62
PTGES O14684 1/20 0.62
TRPV1 Q8NER1 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
PLEC Q15149 1/20 0.56
SLC40A1 Q9NP59 1/20 0.56
HDAC6 Q9UBN7 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL30733219 1.00 MAPT (0.68) MAPTSMN1; SMN2KDM4EKDRMEN1
SCHEMBL3039060 0.90 KDM4E (0.61) MAPTSMN1; SMN2KDM4EKDRMEN1
SCHEMBL1507696 0.83 MAPT (0.78) MAPTSMN1; SMN2KDM4EKDRMEN1
SCHEMBL28199290 0.83 KDM4E (0.73) MAPTSMN1; SMN2KDM4EKDRMEN1
SCHEMBL29831327 0.82 MAPT (0.70) MAPTSMN1; SMN2MEN1KMT2APTGES
SCHEMBL17552188 0.82 MAPT (0.70) MAPTSMN1; SMN2MEN1KMT2APTGES
SCHEMBL6537870 0.82 SMN1; SMN2 (0.52) MAPTSMN1; SMN2KDM4EKDRPTGES
SCHEMBL3088776 0.82 NPC1 (0.55) SMN1; SMN2KDM4EKDRMEN1KMT2A
SCHEMBL7686467 0.81 EGLN1 (0.66) MAPTSMN1; SMN2KDM4EKDR
SCHEMBL19422863 0.81 MAPT (1.00) MAPTSMN1; SMN2KDM4EKDRMEN1

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-2001021160-B1 CARBOXYMIDE AND ANILINE DERIVATIVES AS SELECTIVE INHIBITORS OF PATHOGENS AXXIMA PHARMACEUTICALS AG (DE) 2002-05-30 WO claimed
CN-117945998-A Ortho-selective deuteration method for aromatic amide compounds 浙大宁波理工学院 2024-04-30 CN disclosed
CN-117486795-A Preparation method of deuterated amide aromatic compound 浙大宁波理工学院 2024-02-02 CN disclosed