SCHEMBL367527

SCHEMBL367527

COC(=O)c1c2ccccc2n2cc(C(=O)C[S+](C)[O-])ccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.41
KMT2A Q03164 7/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
EGFR P00533 2/20 0.40
SRC P12931 2/20 0.40
ALDH1A1 P00352 2/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
THRB P10828 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL366338 0.84 NR4A2 (0.45) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL365030 0.84 NR4A2 (0.48) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364927 0.83 SRC (0.51) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL367526 0.82 MAPT (0.44) KMT2AKDM4EMEN1EGFRSRC
SCHEMBL366941 0.81 ALDH1A1 (0.46) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364281 0.80 NR4A2 (0.48) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364339 0.80 KMT2A (0.49) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364533 0.80 NR4A2 (0.45) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL366111 0.80 LMNA (0.52) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364265 0.78 NR4A2 (0.46) NR4A2KMT2AKDM4EMEN1EGFR

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