SCHEMBL365030

SCHEMBL365030

CCC(=O)c1ccc2c(C(=O)OC)c3ccccc3n2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.48
KMT2A Q03164 7/20 0.45
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
EGFR P00533 2/20 0.43
SRC P12931 2/20 0.43
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.41
MAPT P10636 1/20 0.41
PTGER4 P35408 1/20 0.41

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 0.90 NR4A2 (0.45) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364927 0.88 SRC (0.51) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL366111 0.87 LMNA (0.52) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL366941 0.85 ALDH1A1 (0.46) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364339 0.85 KMT2A (0.49) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364281 0.85 NR4A2 (0.48) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL367527 0.84 NR4A2 (0.41) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364265 0.83 NR4A2 (0.46) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL364450 0.83 KMT2A (0.47) NR4A2KMT2AKDM4EMEN1EGFR
SCHEMBL366488 0.82 NR4A2 (0.45) 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