SCHEMBL6989757

SCHEMBL6989757

O=C(c1ccnc(C(=O)N(Cc2ccccc2F)Cc2ccccc2F)c1)N(Cc1ccccc1F)Cc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 0.45
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
KDM5A P29375 3/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HCAR3 P49019 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6989518 0.84 ALDH1A1 (0.46) MAPTSMN1; SMN2TP53KDM5AKDM5B
SCHEMBL6987326 0.84 ALDH1A1 (0.43) MAPTKDM5AKDM5BKDM4AKDM4C
SCHEMBL6235626 0.82 GPBAR1 (0.47) MAPTKDM5AKDM5BKDM4AKDM4C
SCHEMBL6985789 0.82 HDAC1 (0.51) MAPTSMN1; SMN2KDM4AKDM4CALDH1A1
SCHEMBL6988723 0.81 SMN1; SMN2 (0.47) MAPTSMN1; SMN2TP53KDM4AKDM4C
SCHEMBL5210605 0.80 CFTR (0.55) MAPTKDM5AKDM5BKDM4AKDM4C
SCHEMBL6985142 0.77 PKM (0.46) MAPTKDM5AKDM5BKDM4CALDH1A1
SCHEMBL6235628 0.75 KDM4C (0.48) MAPTKDM5AKDM5BKDM4AKDM4C
SCHEMBL6985787 0.74 KDM4A (0.50) MAPTKDM5AKDM5BKDM4AKDM4C
SCHEMBL6238400 0.74 SLC2A1 (0.46) MAPTKDM5AKDM5BKDM4AKDM4C

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
EP-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed