SCHEMBL3468580

SCHEMBL3468580

O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[C@]12OCCC(c1ccccc1)O2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
EGFR P00533 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
HTR2C P28335 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
SCHEMBL3472577 0.87 OPRM1 (0.38) CNR2KDM4ELMNAKMT2AGAA
SCHEMBL3469163 0.74 CASP3 (0.55) KDM4EKMT2AGAAMEN1POLB
SCHEMBL6947705 0.73 GAA (0.62) KDM4ELMNASMN1; SMN2KMT2AGAA
SCHEMBL8307191 0.73 GAA (0.61) KDM4ELMNASMN1; SMN2KMT2AGAA
SCHEMBL6949259 0.70 GAA (0.53) LMNASMN1; SMN2KMT2AGAAMEN1
SCHEMBL3471618 0.70 ALOX5AP (0.49) CNR2KDM4EKMT2AGAAMEN1
SCHEMBL3468579 0.69 GAA (0.48) CNR2KDM4EKMT2AGAAMEN1
SCHEMBL2782035 0.68 KMT2A (0.56) SMN1; SMN2KMT2AGAAMEN1POLB
SCHEMBL3467433 0.67 KMT2A (0.49) CNR2KDM4EKMT2AGAAMEN1
SCHEMBL2762571 0.66 KMT2A (0.41) KDM4EKMT2AGAAMEN1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO claimed