SCHEMBL364533

SCHEMBL364533

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.45
KMT2A Q03164 8/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
IDO1 P14902 1/20 0.38
BRD4 O60885 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL366492 0.85 EGFR (0.41) NR4A2KDM4EALDH1A1EGFRSRC
SCHEMBL366109 0.84 EGFR (0.43) NR4A2KDM4EALDH1A1EGFRSRC
SCHEMBL366181 0.83 KMT2A (0.41) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL365899 0.83 LMNA (0.40) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL365775 0.82 ALDH1A1 (0.32) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL366188 0.82 NR4A2 (0.39) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL364219 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL364532 0.80 MAPT (0.45) KMT2AMEN1KDM4EALDH1A1F2
SCHEMBL366483 0.80 NR4A2 (0.40) NR4A2KMT2AMEN1KDM4EALDH1A1
SCHEMBL367527 0.80 NR4A2 (0.41) NR4A2KMT2AMEN1KDM4EALDH1A1

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