SCHEMBL932971

SCHEMBL932971

O=CC(Oc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.58
TSHR P16473 2/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PKM P14618 9/20 0.54
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PABPC1 P11940 1/20 0.52
APOBEC3A P31941 1/20 0.52
EIF4H Q15056 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
PKLR P30613 1/20 0.51
HTT P42858 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL933278 0.91 KMT2A (0.54) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL932990 0.91 PKM (0.62) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL932085 0.88 SMN1; SMN2 (0.55) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL932636 0.87 ALDH1A1 (0.50) MEN1KMT2APKMLMNASMN1; SMN2
SCHEMBL932415 0.85 LMNA (0.53) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL931510 0.84 PKM (0.59) TSHRMEN1KMT2APKMLMNA
SCHEMBL931956 0.84 MEN1 (0.53) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL932174 0.84 MCOLN3 (0.50) MCOLN3TSHRMEN1KMT2APKM
SCHEMBL932795 0.83 LMNA (0.42) MEN1KMT2APKMLMNASMN1; SMN2
SCHEMBL932192 0.83 PKM (0.52) MCOLN3TSHRMEN1KMT2APKM

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