SCHEMBL932955

SCHEMBL932955

O=CC(Nc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
PABPC1 P11940 1/20 0.54
APOBEC3A P31941 1/20 0.54
EIF4H Q15056 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
MCOLN3 Q8TDD5 3/20 0.53
TSHR P16473 2/20 0.53
PKM P14618 8/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKLR P30613 1/20 0.50
HTT P42858 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL932197 0.86 PKM (0.59) KMT2AMEN1PABPC1APOBEC3AEIF4H
SCHEMBL932255 0.79 MCOLN3 (0.59) KMT2AMEN1PABPC1APOBEC3AEIF4H
SCHEMBL18134604 0.78 MCOLN3 (0.83) KMT2AMEN1MCOLN3TSHRPKM
SCHEMBL932971 0.78 MCOLN3 (0.58) KMT2AMEN1PABPC1APOBEC3AEIF4H
SCHEMBL5734563 0.76 MCOLN3 (0.69) KMT2AMEN1MCOLN3TSHRPKM
SCHEMBL931956 0.74 MEN1 (0.53) KMT2AMEN1PABPC1APOBEC3AEIF4H
SCHEMBL3169939 0.72 MCOLN3 (0.97) KMT2AMEN1MCOLN3TSHRPKM
SCHEMBL932990 0.72 PKM (0.62) KMT2AMEN1PABPC1APOBEC3AEIF4H
SCHEMBL933278 0.72 KMT2A (0.54) KMT2AMEN1PABPC1APOBEC3AEIF4H
SCHEMBL15014129 0.71 PKM (0.89) KMT2AMEN1MCOLN3TSHRPKM

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
EP-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed