SCHEMBL9602776

SCHEMBL9602776

COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.64
LMNA P02545 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RYR2 Q92736 1/20 0.54
PDE4B Q07343 2/20 0.53
PDE4D Q08499 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA7 P43166 1/20 0.51
GAA P10253 2/20 0.50
ATM Q13315 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL4715745 0.88 PKM (0.52) PKMLMNAMEN1KMT2ARYR2
SCHEMBL11773546 0.87 PKM (0.61) PKMLMNAMEN1KMT2ARYR2
SCHEMBL14640610 0.85 RYR2 (0.65) PKMLMNAMEN1KMT2ARYR2
SCHEMBL9601466 0.82 HDAC1 (0.51) PKMLMNAMEN1KMT2ARYR2
SCHEMBL29108055 0.82 PKM (0.68) PKMLMNAMEN1KMT2ARYR2
SCHEMBL7496042 0.81 RYR2 (0.49) PKMLMNAMEN1KMT2ARYR2
SCHEMBL17137356 0.79 ALDH1A1 (0.51) PKMLMNAMEN1KMT2ARYR2
SCHEMBL5708819 0.78 GAA (0.62) PKMLMNAMEN1KMT2ACYP2C19
SCHEMBL5915342 0.77 PDE4B (0.81) PKMLMNAKMT2APDE4BPDE4D
SCHEMBL16637857 0.77 HDAC1 (0.49) PKMLMNARYR2SMN1; SMN2ALDH1A1

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