SCHEMBL367090

SCHEMBL367090

COC(=O)c1c2ccc(C(=O)C(F)(F)F)cc2n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 6/20 0.44
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 5/20 0.44
PABPC1 P11940 2/20 0.44
SAE1 Q9UBE0 2/20 0.44
UBA2 Q9UBT2 2/20 0.44
APAF1 O14727 1/20 0.44
G6PD P11413 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
IDO1 P14902 4/20 0.44
USP2 O75604 1/20 0.42
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 2/20 0.39

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
SCHEMBL364926 0.87 MAPT (0.49) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL365999 0.85 ALDH1A1 (0.48) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL364280 0.85 MAPT (0.47) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL365911 0.85 CES1 (0.42) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL364338 0.85 MAPT (0.47) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL365634 0.84 CES1 (0.38) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL364449 0.83 MAPT (0.46) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL364264 0.83 MAPT (0.46) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL365548 0.83 ALDH1A1 (0.43) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL366487 0.82 MAPT (0.50) MAPTALDH1A1KMT2AKDM4EMEN1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed