SCHEMBL364339

SCHEMBL364339

COC(=O)c1c2ccccc2n2cc(C(=O)O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
THRB P10828 1/20 0.49
NR4A2 P43354 4/20 0.48
MEN1 O00255 3/20 0.46
EGFR P00533 2/20 0.46
SRC P12931 2/20 0.46
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL364927 0.92 SRC (0.51) KMT2AKDM4EALDH1A1THRBNR4A2
SCHEMBL364450 0.89 KMT2A (0.47) KMT2AKDM4EALDH1A1THRBNR4A2
SCHEMBL364281 0.89 NR4A2 (0.48) KMT2AKDM4EALDH1A1THRBNR4A2
SCHEMBL364265 0.86 NR4A2 (0.46) KMT2AKDM4EALDH1A1THRBNR4A2
SCHEMBL365250 0.85 NR4A2 (0.45) KMT2AKDM4EALDH1A1THRBNR4A2
SCHEMBL365030 0.85 NR4A2 (0.48) KMT2AKDM4EALDH1A1THRBNR4A2
SCHEMBL366338 0.85 NR4A2 (0.45) KMT2AKDM4EALDH1A1THRBNR4A2
SCHEMBL366488 0.85 NR4A2 (0.45) KMT2AKDM4EALDH1A1THRBNR4A2
SCHEMBL365935 0.85 KDM4E (0.47) KDM4EALDH1A1EGFRSRCPOLB
SCHEMBL367091 0.84 KMT2A (0.44) KMT2AKDM4EALDH1A1THRBNR4A2

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 3 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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed