SCHEMBL367704

SCHEMBL367704

CSc1ccc2c(C(N)=O)c3ccccn3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
SRC P12931 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
SAE1 Q9UBE0 2/20 0.42
UBA2 Q9UBT2 2/20 0.42
APAF1 O14727 1/20 0.42
G6PD P11413 1/20 0.42
PABPC1 P11940 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
XBP1 P17861 1/20 0.36
MPI P34949 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
SCHEMBL365778 0.87 EGFR (0.42) EGFRSRCALDH1A1KMT2AKDM4E
SCHEMBL365369 0.84 MAPT (0.47) EGFRSRCALDH1A1KMT2AKDM4E
SCHEMBL367763 0.82 BAZ2B (0.45) EGFRSRCALDH1A1KMT2AKDM4E
SCHEMBL367200 0.81 KDM4E (0.55) EGFRSRCALDH1A1KMT2AKDM4E
SCHEMBL367329 0.81 BAZ2B (0.47) EGFRSRCALDH1A1KMT2AKDM4E
SCHEMBL367706 0.80 BAZ2B (0.41) EGFRSRCALDH1A1KMT2AKDM4E
SCHEMBL364593 0.80 KMT2A (0.56) EGFRSRCALDH1A1KMT2AKDM4E
SCHEMBL367705 0.79 EGFR (0.48) EGFRSRCALDH1A1KMT2AKDM4E
SCHEMBL365258 0.79 KDM4E (0.42) EGFRSRCALDH1A1KMT2AKDM4E
SCHEMBL364652 0.78 CA2 (0.40) EGFRSRCALDH1A1KMT2AKDM4E

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed