SCHEMBL9601466

SCHEMBL9601466

CC(=O)Oc1cc2c(cc1OC(C)=O)CN(S(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
PKM P14618 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
RYR2 Q92736 1/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 2/20 0.44
AKR1C3 P42330 1/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9602776 0.82 PKM (0.64) PKMKMT2AMEN1ALDH1A1POLB
SCHEMBL11773546 0.82 PKM (0.61) HDAC1PKMKMT2AMEN1ALDH1A1
SCHEMBL1026665 0.75 HDAC1 (0.57) HDAC1KMT2AMEN1ALDH1A1POLB
SCHEMBL14640610 0.74 RYR2 (0.65) HDAC1PKMKMT2AMEN1HTT
SCHEMBL5708819 0.74 GAA (0.62) PKMKMT2AMEN1ALDH1A1POLB
SCHEMBL7006375 0.72 HDAC1 (0.57) HDAC1PKMKMT2AMEN1ALDH1A1
SCHEMBL9757210 0.72 HDAC1 (0.54) HDAC1PKMKMT2AMEN1ALDH1A1
SCHEMBL382362 0.72 HDAC1 (0.54) HDAC1PKMKMT2AMEN1ALDH1A1
SCHEMBL4715745 0.72 PKM (0.52) PKMKMT2AMEN1ALDH1A1HTT
SCHEMBL9757496 0.72 HDAC1 (0.54) HDAC1PKMKMT2AMEN1ALDH1A1

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
EP-0227986-B1 ISOINDOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 EP disclosed
US-4987235-A Isoindoline derivatives and processes for their preparation BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0227986-A1 Isoindoline derivatives and processes for their preparation BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-08 EP disclosed