SCHEMBL9256830

SCHEMBL9256830

CC(=O)Oc1c(C(OC(C)=O)OC(C)=O)c(=O)n(C)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
KDM4E B2RXH2 9/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KMT2A Q03164 5/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 4/20 0.43
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.40
F2 P00734 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9261324 0.90 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9256867 0.84 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9253426 0.83 KDM4E (0.55) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9588769 0.82 ALDH1A1 (0.72) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9255871 0.81 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9258929 0.81 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9249471 0.77 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL6578990 0.76 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9252356 0.75 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL9760582 0.74 KDM4E (0.61) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1

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
US-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed
EP-0547145-A1 ANTIVIRAL 2(1H)-QUINOLINONE COMPOUNDS SCHERING CORPORATION (US) 1993-06-23 EP disclosed
WO-1992004326-A1 ANTIVIRAL COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed